(4R,4aR,12bS)-4,4a,7,7a,13,13-hexadeuterio-9-methoxy-3-methyl-1,2-dihydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol;(4R,4aR,12bS)-4,4a,7,7a,13,13-hexadeuterio-9-methoxy-3-(trideuteriomethyl)-1,2-dihydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol;(4R,4aR,12bS)-4,4a,7,7a,13,13-hexadeuterio-3-methyl-9-(trideuteriomethoxy)-1,2-dihydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol;(4R,4aR,12bS)-4,4a,7,7a,13,13-hexadeuterio-9-(trideuteriomethoxy)-3-(trideuteriomethyl)-1,2-dihydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol;(4R,4aR,12bS)-4,7,7a,10,11-pentadeuterio-9-methoxy-3-methyl-1,2,4a,13-tetrahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol;(4R,4aR,12bS)-4,7,7a,10,11-pentadeuterio-9-methoxy-3-(trideuteriomethyl)-1,2,4a,13-tetrahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol;(4R,4aR,12bS)-4,7,7a,10,11-pentadeuterio-3-methyl-9-(trideuteriomethoxy)-1,2,4a,13-tetrahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol;(4R,4aR,12bS)-4,7,7a,10,11-pentadeuterio-9-(trideuteriomethoxy)-3-(trideuteriomethyl)-1,2,4a,13-tetrahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol;(4R,4aR,12bS)-4,7a,10,11-tetradeuterio-9-methoxy-3-methyl-2,4a,7,13-tetrahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol;(4R,4aR,12bS)-4,7a,10,11-tetradeuterio-9-methoxy-3-(trideuteriomethyl)-2,4a,7,13-tetrahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol;(4R,4aR,12bS)-4,7a,10,11-tetradeuterio-3-methyl-9-(trideuteriomethoxy)-2,4a,7,13-tetrahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol;(4R,4aR,12bS)-4,7a,10,11-tetradeuterio-9-(trideuteriomethoxy)-3-(trideuteriomethyl)-2,4a,7,13-tetrahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol

C216H252N12O36 — CID 158943697

IUPAC(4R,4aR,12bS)-4,4a,7,7a,13,13-hexadeuterio-9-methoxy-3-methyl-1,2-dihydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol;(4R,4aR,12bS)-4,4a,7,7a,13,13-hexadeuterio-9-methoxy-3-(trideuteriomethyl)-1,2-dihydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol;(4R,4aR,12bS)-4,4a,7,7a,13,13-hexadeuterio-3-methyl-9-(trideuteriomethoxy)-1,2-dihydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol;(4R,4aR,12bS)-4,4a,7,7a,13,13-hexadeuterio-9-(trideuteriomethoxy)-3-(trideuteriomethyl)-1,2-dihydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol;(4R,4aR,12bS)-4,7,7a,10,11-pentadeuterio-9-methoxy-3-methyl-1,2,4a,13-tetrahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol;(4R,4aR,12bS)-4,7,7a,10,11-pentadeuterio-9-methoxy-3-(trideuteriomethyl)-1,2,4a,13-tetrahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol;(4R,4aR,12bS)-4,7,7a,10,11-pentadeuterio-3-methyl-9-(trideuteriomethoxy)-1,2,4a,13-tetrahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol;(4R,4aR,12bS)-4,7,7a,10,11-pentadeuterio-9-(trideuteriomethoxy)-3-(trideuteriomethyl)-1,2,4a,13-tetrahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol;(4R,4aR,12bS)-4,7a,10,11-tetradeuterio-9-methoxy-3-methyl-2,4a,7,13-tetrahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol;(4R,4aR,12bS)-4,7a,10,11-tetradeuterio-9-methoxy-3-(trideuteriomethyl)-2,4a,7,13-tetrahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol;(4R,4aR,12bS)-4,7a,10,11-tetradeuterio-3-methyl-9-(trideuteriomethoxy)-2,4a,7,13-tetrahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol;(4R,4aR,12bS)-4,7a,10,11-tetradeuterio-9-(trideuteriomethoxy)-3-(trideuteriomethyl)-2,4a,7,13-tetrahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol
SMILES[2H]C([2H])([2H])N1CC[C@]23c4c5ccc(OC)c4OC2([2H])C([2H])(O)C=C[C@@]3([2H])[C@@]1([2H])C5([2H])[2H].[2H]C([2H])([2H])Oc1ccc2c3c1OC1([2H])C([2H])(O)C=C[C@]4([2H])[C@@]31CCN(C([2H])([2H])[2H])[C@]4([2H])C2([2H])[2H].[2H]C([2H])([2H])Oc1ccc2c3c1OC1([2H])C([2H])(O)C=C[C@]4([2H])[C@@]31CCN(C)[C@]4([2H])C2([2H])[2H].[2H]C1(O)C=C[C@]2([2H])[C@@]34CCN(C)[C@]2([2H])C([2H])([2H])c2ccc(OC)c(c23)OC14[2H].[2H]c1c([2H])c(OC([2H])([2H])[2H])c2c3c1C[C@]1([2H])[C@@H]4C=CC(O)C([2H])(O2)[C@]34CCN1C.[2H]c1c([2H])c(OC([2H])([2H])[2H])c2c3c1C[C@]1([2H])[C@@H]4C=CC(O)C([2H])(O2)[C@]34CCN1C([2H])([2H])[2H].[2H]c1c([2H])c(OC([2H])([2H])[2H])c2c3c1C[C@]1([2H])[C@@H]4C=CC([2H])(O)C([2H])(O2)[C@]34CCN1C.[2H]c1c([2H])c(OC([2H])([2H])[2H])c2c3c1C[C@]1([2H])[C@@H]4C=CC([2H])(O)C([2H])(O2)[C@]34CCN1C([2H])([2H])[2H].[2H]c1c([2H])c(OC)c2c3c1C[C@]1([2H])[C@@H]4C=CC(O)C([2H])(O2)[C@]34CCN1C.[2H]c1c([2H])c(OC)c2c3c1C[C@]1([2H])[C@@H]4C=CC(O)C([2H])(O2)[C@]34CCN1C([2H])([2H])[2H].[2H]c1c([2H])c(OC)c2c3c1C[C@]1([2H])[C@@H]4C=CC([2H])(O)C([2H])(O2)[C@]34CCN1C.[2H]c1c([2H])c(OC)c2c3c1C[C@]1([2H])[C@@H]4C=CC([2H])(O)C([2H])(O2)[C@]34CCN1C([2H])([2H])[2H]
InChIInChI=1S/12C18H21NO3/c12*1-19-8-7-18-11-4-5-13(20)17(18)22-16-14(21-2)6-3-10(15(16)18)9-12(11)19/h12*3-6,11-13,17,20H,7-9H2,1-2H3/t12*11-,12+,13?,17?,18-/m000000000000/s1/i1D3,2D3,9D2,11D,12D,13D,17D;1D3,2D3,3D,6D,12D,13D,17D;2D3,9D2,11D,12D,13D,17D;2D3,3D,6D,12D,13D,17D;1D3,9D2,11D,12D,13D,17D;1D3,3D,6D,12D,13D,17D;1D3,2D3,3D,6D,12D,17D;9D2,11D,12D,13D,17D;3D,6D,12D,13D,17D;2D3,3D,6D,12D,17D;1D3,3D,6D,12D,17D;3D,6D,12D,17D
InChIKeyJKOJXMOADJWOJI-MNDPTRAESA-N
MW3689.03 g/mol
LogP18.01
Rot. Bonds24

About (4R,4aR,12bS)-4,4a,7,7a,13,13-hexadeuterio-9-methoxy-3-methyl-1,2-dihydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol;(4R,4aR,12bS)-4,4a,7,7a,13,13-hexadeuterio-9-methoxy-3-(trideuteriomethyl)-1,2-dihydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol;(4R,4aR,12bS)-4,4a,7,7a,13,13-hexadeuterio-3-methyl-9-(trideuteriomethoxy)-1,2-dihydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol;(4R,4aR,12bS)-4,4a,7,7a,13,13-hexadeuterio-9-(trideuteriomethoxy)-3-(trideuteriomethyl)-1,2-dihydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol;(4R,4aR,12bS)-4,7,7a,10,11-pentadeuterio-9-methoxy-3-methyl-1,2,4a,13-tetrahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol;(4R,4aR,12bS)-4,7,7a,10,11-pentadeuterio-9-methoxy-3-(trideuteriomethyl)-1,2,4a,13-tetrahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol;(4R,4aR,12bS)-4,7,7a,10,11-pentadeuterio-3-methyl-9-(trideuteriomethoxy)-1,2,4a,13-tetrahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol;(4R,4aR,12bS)-4,7,7a,10,11-pentadeuterio-9-(trideuteriomethoxy)-3-(trideuteriomethyl)-1,2,4a,13-tetrahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol;(4R,4aR,12bS)-4,7a,10,11-tetradeuterio-9-methoxy-3-methyl-2,4a,7,13-tetrahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol;(4R,4aR,12bS)-4,7a,10,11-tetradeuterio-9-methoxy-3-(trideuteriomethyl)-2,4a,7,13-tetrahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol;(4R,4aR,12bS)-4,7a,10,11-tetradeuterio-3-methyl-9-(trideuteriomethoxy)-2,4a,7,13-tetrahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol;(4R,4aR,12bS)-4,7a,10,11-tetradeuterio-9-(trideuteriomethoxy)-3-(trideuteriomethyl)-2,4a,7,13-tetrahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol

(4R,4aR,12bS)-4,4a,7,7a,13,13-hexadeuterio-9-methoxy-3-methyl-1,2-dihydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol;(4R,4aR,12bS)-4,4a,7,7a,13,13-hexadeuterio-9-methoxy-3-(trideuteriomethyl)-1,2-dihydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol;(4R,4aR,12bS)-4,4a,7,7a,13,13-hexadeuterio-3-methyl-9-(trideuteriomethoxy)-1,2-dihydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol;(4R,4aR,12bS)-4,4a,7,7a,13,13-hexadeuterio-9-(trideuteriomethoxy)-3-(trideuteriomethyl)-1,2-dihydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol;(4R,4aR,12bS)-4,7,7a,10,11-pentadeuterio-9-methoxy-3-methyl-1,2,4a,13-tetrahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol;(4R,4aR,12bS)-4,7,7a,10,11-pentadeuterio-9-methoxy-3-(trideuteriomethyl)-1,2,4a,13-tetrahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol;(4R,4aR,12bS)-4,7,7a,10,11-pentadeuterio-3-methyl-9-(trideuteriomethoxy)-1,2,4a,13-tetrahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol;(4R,4aR,12bS)-4,7,7a,10,11-pentadeuterio-9-(trideuteriomethoxy)-3-(trideuteriomethyl)-1,2,4a,13-tetrahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol;(4R,4aR,12bS)-4,7a,10,11-tetradeuterio-9-methoxy-3-methyl-2,4a,7,13-tetrahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol;(4R,4aR,12bS)-4,7a,10,11-tetradeuterio-9-methoxy-3-(trideuteriomethyl)-2,4a,7,13-tetrahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol;(4R,4aR,12bS)-4,7a,10,11-tetradeuterio-3-methyl-9-(trideuteriomethoxy)-2,4a,7,13-tetrahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol;(4R,4aR,12bS)-4,7a,10,11-tetradeuterio-9-(trideuteriomethoxy)-3-(trideuteriomethyl)-2,4a,7,13-tetrahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol (PubChem CID 158943697) has the molecular formula C216H252N12O36 and a molecular weight of 3689.03 g/mol. Its IUPAC name is (4R,4aR,12bS)-4,4a,7,7a,13,13-hexadeuterio-9-methoxy-3-methyl-1,2-dihydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol;(4R,4aR,12bS)-4,4a,7,7a,13,13-hexadeuterio-9-methoxy-3-(trideuteriomethyl)-1,2-dihydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol;(4R,4aR,12bS)-4,4a,7,7a,13,13-hexadeuterio-3-methyl-9-(trideuteriomethoxy)-1,2-dihydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol;(4R,4aR,12bS)-4,4a,7,7a,13,13-hexadeuterio-9-(trideuteriomethoxy)-3-(trideuteriomethyl)-1,2-dihydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol;(4R,4aR,12bS)-4,7,7a,10,11-pentadeuterio-9-methoxy-3-methyl-1,2,4a,13-tetrahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol;(4R,4aR,12bS)-4,7,7a,10,11-pentadeuterio-9-methoxy-3-(trideuteriomethyl)-1,2,4a,13-tetrahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol;(4R,4aR,12bS)-4,7,7a,10,11-pentadeuterio-3-methyl-9-(trideuteriomethoxy)-1,2,4a,13-tetrahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol;(4R,4aR,12bS)-4,7,7a,10,11-pentadeuterio-9-(trideuteriomethoxy)-3-(trideuteriomethyl)-1,2,4a,13-tetrahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol;(4R,4aR,12bS)-4,7a,10,11-tetradeuterio-9-methoxy-3-methyl-2,4a,7,13-tetrahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol;(4R,4aR,12bS)-4,7a,10,11-tetradeuterio-9-methoxy-3-(trideuteriomethyl)-2,4a,7,13-tetrahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol;(4R,4aR,12bS)-4,7a,10,11-tetradeuterio-3-methyl-9-(trideuteriomethoxy)-2,4a,7,13-tetrahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol;(4R,4aR,12bS)-4,7a,10,11-tetradeuterio-9-(trideuteriomethoxy)-3-(trideuteriomethyl)-2,4a,7,13-tetrahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol.

Molecular Properties

Compound Name(4R,4aR,12bS)-4,4a,7,7a,13,13-hexadeuterio-9-methoxy-3-methyl-1,2-dihydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol;(4R,4aR,12bS)-4,4a,7,7a,13,13-hexadeuterio-9-methoxy-3-(trideuteriomethyl)-1,2-dihydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol;(4R,4aR,12bS)-4,4a,7,7a,13,13-hexadeuterio-3-methyl-9-(trideuteriomethoxy)-1,2-dihydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol;(4R,4aR,12bS)-4,4a,7,7a,13,13-hexadeuterio-9-(trideuteriomethoxy)-3-(trideuteriomethyl)-1,2-dihydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol;(4R,4aR,12bS)-4,7,7a,10,11-pentadeuterio-9-methoxy-3-methyl-1,2,4a,13-tetrahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol;(4R,4aR,12bS)-4,7,7a,10,11-pentadeuterio-9-methoxy-3-(trideuteriomethyl)-1,2,4a,13-tetrahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol;(4R,4aR,12bS)-4,7,7a,10,11-pentadeuterio-3-methyl-9-(trideuteriomethoxy)-1,2,4a,13-tetrahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol;(4R,4aR,12bS)-4,7,7a,10,11-pentadeuterio-9-(trideuteriomethoxy)-3-(trideuteriomethyl)-1,2,4a,13-tetrahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol;(4R,4aR,12bS)-4,7a,10,11-tetradeuterio-9-methoxy-3-methyl-2,4a,7,13-tetrahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol;(4R,4aR,12bS)-4,7a,10,11-tetradeuterio-9-methoxy-3-(trideuteriomethyl)-2,4a,7,13-tetrahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol;(4R,4aR,12bS)-4,7a,10,11-tetradeuterio-3-methyl-9-(trideuteriomethoxy)-2,4a,7,13-tetrahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol;(4R,4aR,12bS)-4,7a,10,11-tetradeuterio-9-(trideuteriomethoxy)-3-(trideuteriomethyl)-2,4a,7,13-tetrahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol
PubChem CID158943697
Molecular FormulaC216H252N12O36
Molecular Weight3689.03 g/mol
Exact Mass3686.43
IUPAC Name(4R,4aR,12bS)-4,4a,7,7a,13,13-hexadeuterio-9-methoxy-3-methyl-1,2-dihydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol;(4R,4aR,12bS)-4,4a,7,7a,13,13-hexadeuterio-9-methoxy-3-(trideuteriomethyl)-1,2-dihydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol;(4R,4aR,12bS)-4,4a,7,7a,13,13-hexadeuterio-3-methyl-9-(trideuteriomethoxy)-1,2-dihydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol;(4R,4aR,12bS)-4,4a,7,7a,13,13-hexadeuterio-9-(trideuteriomethoxy)-3-(trideuteriomethyl)-1,2-dihydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol;(4R,4aR,12bS)-4,7,7a,10,11-pentadeuterio-9-methoxy-3-methyl-1,2,4a,13-tetrahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol;(4R,4aR,12bS)-4,7,7a,10,11-pentadeuterio-9-methoxy-3-(trideuteriomethyl)-1,2,4a,13-tetrahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol;(4R,4aR,12bS)-4,7,7a,10,11-pentadeuterio-3-methyl-9-(trideuteriomethoxy)-1,2,4a,13-tetrahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol;(4R,4aR,12bS)-4,7,7a,10,11-pentadeuterio-9-(trideuteriomethoxy)-3-(trideuteriomethyl)-1,2,4a,13-tetrahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol;(4R,4aR,12bS)-4,7a,10,11-tetradeuterio-9-methoxy-3-methyl-2,4a,7,13-tetrahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol;(4R,4aR,12bS)-4,7a,10,11-tetradeuterio-9-methoxy-3-(trideuteriomethyl)-2,4a,7,13-tetrahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol;(4R,4aR,12bS)-4,7a,10,11-tetradeuterio-3-methyl-9-(trideuteriomethoxy)-2,4a,7,13-tetrahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol;(4R,4aR,12bS)-4,7a,10,11-tetradeuterio-9-(trideuteriomethoxy)-3-(trideuteriomethyl)-2,4a,7,13-tetrahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol
SMILES[2H]C([2H])([2H])N1CC[C@]23c4c5ccc(OC)c4OC2([2H])C([2H])(O)C=C[C@@]3([2H])[C@@]1([2H])C5([2H])[2H].[2H]C([2H])([2H])Oc1ccc2c3c1OC1([2H])C([2H])(O)C=C[C@]4([2H])[C@@]31CCN(C([2H])([2H])[2H])[C@]4([2H])C2([2H])[2H].[2H]C([2H])([2H])Oc1ccc2c3c1OC1([2H])C([2H])(O)C=C[C@]4([2H])[C@@]31CCN(C)[C@]4([2H])C2([2H])[2H].[2H]C1(O)C=C[C@]2([2H])[C@@]34CCN(C)[C@]2([2H])C([2H])([2H])c2ccc(OC)c(c23)OC14[2H].[2H]c1c([2H])c(OC([2H])([2H])[2H])c2c3c1C[C@]1([2H])[C@@H]4C=CC(O)C([2H])(O2)[C@]34CCN1C.[2H]c1c([2H])c(OC([2H])([2H])[2H])c2c3c1C[C@]1([2H])[C@@H]4C=CC(O)C([2H])(O2)[C@]34CCN1C([2H])([2H])[2H].[2H]c1c([2H])c(OC([2H])([2H])[2H])c2c3c1C[C@]1([2H])[C@@H]4C=CC([2H])(O)C([2H])(O2)[C@]34CCN1C.[2H]c1c([2H])c(OC([2H])([2H])[2H])c2c3c1C[C@]1([2H])[C@@H]4C=CC([2H])(O)C([2H])(O2)[C@]34CCN1C([2H])([2H])[2H].[2H]c1c([2H])c(OC)c2c3c1C[C@]1([2H])[C@@H]4C=CC(O)C([2H])(O2)[C@]34CCN1C.[2H]c1c([2H])c(OC)c2c3c1C[C@]1([2H])[C@@H]4C=CC(O)C([2H])(O2)[C@]34CCN1C([2H])([2H])[2H].[2H]c1c([2H])c(OC)c2c3c1C[C@]1([2H])[C@@H]4C=CC([2H])(O)C([2H])(O2)[C@]34CCN1C.[2H]c1c([2H])c(OC)c2c3c1C[C@]1([2H])[C@@H]4C=CC([2H])(O)C([2H])(O2)[C@]34CCN1C([2H])([2H])[2H]
InChIInChI=1S/12C18H21NO3/c12*1-19-8-7-18-11-4-5-13(20)17(18)22-16-14(21-2)6-3-10(15(16)18)9-12(11)19/h12*3-6,11-13,17,20H,7-9H2,1-2H3/t12*11-,12+,13?,17?,18-/m000000000000/s1/i1D3,2D3,9D2,11D,12D,13D,17D;1D3,2D3,3D,6D,12D,13D,17D;2D3,9D2,11D,12D,13D,17D;2D3,3D,6D,12D,13D,17D;1D3,9D2,11D,12D,13D,17D;1D3,3D,6D,12D,13D,17D;1D3,2D3,3D,6D,12D,17D;9D2,11D,12D,13D,17D;3D,6D,12D,13D,17D;2D3,3D,6D,12D,17D;1D3,3D,6D,12D,17D;3D,6D,12D,17D
InChIKeyJKOJXMOADJWOJI-MNDPTRAESA-N
XLogP18.01
TPSA503.16 Ų
H-Bond Donors12
H-Bond Acceptors48
Rotatable Bonds24
Heavy Atoms264
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003689.03
LogP ≤ 518.01
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1048

Analyze (4R,4aR,12bS)-4,4a,7,7a,13,13-hexadeuterio-9-methoxy-3-methyl-1,2-dihydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol;(4R,4aR,12bS)-4,4a,7,7a,13,13-hexadeuterio-9-methoxy-3-(trideuteriomethyl)-1,2-dihydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol;(4R,4aR,12bS)-4,4a,7,7a,13,13-hexadeuterio-3-methyl-9-(trideuteriomethoxy)-1,2-dihydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol;(4R,4aR,12bS)-4,4a,7,7a,13,13-hexadeuterio-9-(trideuteriomethoxy)-3-(trideuteriomethyl)-1,2-dihydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol;(4R,4aR,12bS)-4,7,7a,10,11-pentadeuterio-9-methoxy-3-methyl-1,2,4a,13-tetrahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol;(4R,4aR,12bS)-4,7,7a,10,11-pentadeuterio-9-methoxy-3-(trideuteriomethyl)-1,2,4a,13-tetrahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol;(4R,4aR,12bS)-4,7,7a,10,11-pentadeuterio-3-methyl-9-(trideuteriomethoxy)-1,2,4a,13-tetrahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol;(4R,4aR,12bS)-4,7,7a,10,11-pentadeuterio-9-(trideuteriomethoxy)-3-(trideuteriomethyl)-1,2,4a,13-tetrahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol;(4R,4aR,12bS)-4,7a,10,11-tetradeuterio-9-methoxy-3-methyl-2,4a,7,13-tetrahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol;(4R,4aR,12bS)-4,7a,10,11-tetradeuterio-9-methoxy-3-(trideuteriomethyl)-2,4a,7,13-tetrahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol;(4R,4aR,12bS)-4,7a,10,11-tetradeuterio-3-methyl-9-(trideuteriomethoxy)-2,4a,7,13-tetrahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol;(4R,4aR,12bS)-4,7a,10,11-tetradeuterio-9-(trideuteriomethoxy)-3-(trideuteriomethyl)-2,4a,7,13-tetrahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol with MolForge

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Related Compounds

(4R,4aR,12bS)-4,7a-dideuterio-9-methoxy-3-methyl-2,4a,7,13-tetrahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol;(4R,4aR,12bS)-4,7a-dideuterio-9-methoxy-3-(trideuteriomethyl)-2,4a,7,13-tetrahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol;(4R,4aR,12bS)-4,7a-dideuterio-3-methyl-9-(trideuteriomethoxy)-2,4a,7,13-tetrahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol;(4R,4aR,12bS)-4,7a-dideuterio-9-(trideuteriomethoxy)-3-(trideuteriomethyl)-2,4a,7,13-tetrahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol;(4R,4aR,12bS)-4,7,7a-trideuterio-9-methoxy-3-methyl-1,2,4a,13-tetrahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol;(4R,4aR,12bS)-4,7,7a-trideuterio-9-methoxy-3-(trideuteriomethyl)-1,2,4a,13-tetrahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol;(4R,4aR,12bS)-4,7,7a-trideuterio-3-methyl-9-(trideuteriomethoxy)-1,2,4a,13-tetrahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol;(4R,4aR,12bS)-4,7,7a-trideuterio-9-(trideuteriomethoxy)-3-(trideuteriomethyl)-1,2,4a,13-tetrahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol
CID 159423524
(4R,4aR,12bS)-4,4a,7,7a-tetradeuterio-9-methoxy-3-methyl-2,13-dihydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol;(4R,4aR,12bS)-4,4a,7,7a-tetradeuterio-9-methoxy-3-(trideuteriomethyl)-2,13-dihydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol;(4R,4aR,12bS)-4,4a,7,7a-tetradeuterio-3-methyl-9-(trideuteriomethoxy)-2,13-dihydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol;(4R,4aR,12bS)-4,4a,7,7a-tetradeuterio-9-(trideuteriomethoxy)-3-(trideuteriomethyl)-2,13-dihydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol;(4R,4aR,12bS)-4,4a,7a-trideuterio-9-methoxy-3-methyl-1,2,7,13-tetrahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol;(4R,4aR,12bS)-4,4a,7a-trideuterio-9-methoxy-3-(trideuteriomethyl)-1,2,7,13-tetrahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol;(4R,4aR,12bS)-4,4a,7a-trideuterio-3-methyl-9-(trideuteriomethoxy)-1,2,7,13-tetrahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol;(4R,4aR,12bS)-4,4a,7a-trideuterio-9-(trideuteriomethoxy)-3-(trideuteriomethyl)-1,2,7,13-tetrahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol
CID 159423523
(4R,4aR,12bS)-4a,7,7a,10,11,13,13-heptadeuterio-7-deuteriooxy-9-methoxy-3-methyl-2,4-dihydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline;(4R,4aR,12bS)-4a,7,7a,10,11,13,13-heptadeuterio-7-deuteriooxy-9-methoxy-3-(trideuteriomethyl)-2,4-dihydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline;(4R,4aR,12bS)-4a,7,7a,10,11,13,13-heptadeuterio-7-deuteriooxy-3-methyl-9-(trideuteriomethoxy)-2,4-dihydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline;(4R,4aR,12bS)-4a,7,7a,10,11,13,13-heptadeuterio-7-deuteriooxy-9-(trideuteriomethoxy)-3-(trideuteriomethyl)-2,4-dihydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline;(4R,4aR,12bS)-4a,7a,10,11,13,13-hexadeuterio-7-deuteriooxy-9-methoxy-3-methyl-1,2,4,7-tetrahydro-4,12-methanobenzofuro[3,2-e]isoquinoline;(4R,4aR,12bS)-4a,7a,10,11,13,13-hexadeuterio-7-deuteriooxy-9-methoxy-3-(trideuteriomethyl)-1,2,4,7-tetrahydro-4,12-methanobenzofuro[3,2-e]isoquinoline;(4R,4aR,12bS)-4a,7a,10,11,13,13-hexadeuterio-7-deuteriooxy-3-methyl-9-(trideuteriomethoxy)-1,2,4,7-tetrahydro-4,12-methanobenzofuro[3,2-e]isoquinoline;(4R,4aR,12bS)-4a,7a,10,11,13,13-hexadeuterio-7-deuteriooxy-9-(trideuteriomethoxy)-3-(trideuteriomethyl)-1,2,4,7-tetrahydro-4,12-methanobenzofuro[3,2-e]isoquinoline;(4R,4aR,12bS)-4,7a-dideuterio-7-deuteriooxy-3-methyl-9-(trideuteriomethoxy)-2,4a,7,13-tetrahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline;(4R,4aR,12bS)-4-deuterio-7-deuteriooxy-9-methoxy-3-methyl-1,2,4a,7,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinoline;(4R,4aR,12bS)-4-deuterio-7-deuteriooxy-9-methoxy-3-(trideuteriomethyl)-1,2,4a,7,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinoline;(4R,4aR,12bS)-4-deuterio-7-deuteriooxy-9-(trideuteriomethoxy)-3-(trideuteriomethyl)-1,2,4a,7,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinoline
CID 158943700
(4R,4aR,12bS)-4,4a,7,7a,13,13-hexadeuterio-9-methoxy-3-methyl-1,2-dihydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol
CID 59667075
(4R,4aR,12bS)-4,7,7a,13,13-pentadeuterio-7-deuteriooxy-3-methyl-9-(trideuteriomethoxy)-2,4a-dihydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline
CID 59667273
(4R,4aR,12bS)-4,4a,7,7a,13,13-hexadeuterio-7-deuteriooxy-9-methoxy-3-methyl-1,2-dihydro-4,12-methanobenzofuro[3,2-e]isoquinoline
CID 59667119
(4R,4aR,12bS)-7,7a,13,13-tetradeuterio-9-(trideuteriomethoxy)-3-(trideuteriomethyl)-1,2,4,4a-tetrahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol
CID 59666935
(4R,4aR,12bS)-4,4a,7a,10,11,13,13-heptadeuterio-7-deuteriooxy-9-methoxy-3-methyl-2,7-dihydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline
CID 59666542
(4R,4aR,12bS)-4a,7a,10,11,13,13-hexadeuterio-9-(trideuteriomethoxy)-3-(trideuteriomethyl)-1,2,4,7-tetrahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol
CID 59666920
(4R,4aR,12bS)-4,4a,7,10,11,13,13-heptadeuterio-3-methyl-9-(trideuteriomethoxy)-2,7a-dihydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol
CID 59666366
(4R,4aR,12bS)-4,7,13,13-tetradeuterio-3-methyl-9-(trideuteriomethoxy)-1,2,4a,7a-tetrahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol
CID 59666760
(4R,4aR,12bS)-4,10,11-trideuterio-9-methoxy-3-methyl-1,2,4a,7,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol
CID 59666757

Frequently Asked Questions

What is the IUPAC name of (4R,4aR,12bS)-4,4a,7,7a,13,13-hexadeuterio-9-methoxy-3-methyl-1,2-dihydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol;(4R,4aR,12bS)-4,4a,7,7a,13,13-hexadeuterio-9-methoxy-3-(trideuteriomethyl)-1,2-dihydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol;(4R,4aR,12bS)-4,4a,7,7a,13,13-hexadeuterio-3-methyl-9-(trideuteriomethoxy)-1,2-dihydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol;(4R,4aR,12bS)-4,4a,7,7a,13,13-hexadeuterio-9-(trideuteriomethoxy)-3-(trideuteriomethyl)-1,2-dihydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol;(4R,4aR,12bS)-4,7,7a,10,11-pentadeuterio-9-methoxy-3-methyl-1,2,4a,13-tetrahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol;(4R,4aR,12bS)-4,7,7a,10,11-pentadeuterio-9-methoxy-3-(trideuteriomethyl)-1,2,4a,13-tetrahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol;(4R,4aR,12bS)-4,7,7a,10,11-pentadeuterio-3-methyl-9-(trideuteriomethoxy)-1,2,4a,13-tetrahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol;(4R,4aR,12bS)-4,7,7a,10,11-pentadeuterio-9-(trideuteriomethoxy)-3-(trideuteriomethyl)-1,2,4a,13-tetrahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol;(4R,4aR,12bS)-4,7a,10,11-tetradeuterio-9-methoxy-3-methyl-2,4a,7,13-tetrahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol;(4R,4aR,12bS)-4,7a,10,11-tetradeuterio-9-methoxy-3-(trideuteriomethyl)-2,4a,7,13-tetrahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol;(4R,4aR,12bS)-4,7a,10,11-tetradeuterio-3-methyl-9-(trideuteriomethoxy)-2,4a,7,13-tetrahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol;(4R,4aR,12bS)-4,7a,10,11-tetradeuterio-9-(trideuteriomethoxy)-3-(trideuteriomethyl)-2,4a,7,13-tetrahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol?
The IUPAC name of (4R,4aR,12bS)-4,4a,7,7a,13,13-hexadeuterio-9-methoxy-3-methyl-1,2-dihydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol;(4R,4aR,12bS)-4,4a,7,7a,13,13-hexadeuterio-9-methoxy-3-(trideuteriomethyl)-1,2-dihydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol;(4R,4aR,12bS)-4,4a,7,7a,13,13-hexadeuterio-3-methyl-9-(trideuteriomethoxy)-1,2-dihydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol;(4R,4aR,12bS)-4,4a,7,7a,13,13-hexadeuterio-9-(trideuteriomethoxy)-3-(trideuteriomethyl)-1,2-dihydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol;(4R,4aR,12bS)-4,7,7a,10,11-pentadeuterio-9-methoxy-3-methyl-1,2,4a,13-tetrahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol;(4R,4aR,12bS)-4,7,7a,10,11-pentadeuterio-9-methoxy-3-(trideuteriomethyl)-1,2,4a,13-tetrahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol;(4R,4aR,12bS)-4,7,7a,10,11-pentadeuterio-3-methyl-9-(trideuteriomethoxy)-1,2,4a,13-tetrahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol;(4R,4aR,12bS)-4,7,7a,10,11-pentadeuterio-9-(trideuteriomethoxy)-3-(trideuteriomethyl)-1,2,4a,13-tetrahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol;(4R,4aR,12bS)-4,7a,10,11-tetradeuterio-9-methoxy-3-methyl-2,4a,7,13-tetrahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol;(4R,4aR,12bS)-4,7a,10,11-tetradeuterio-9-methoxy-3-(trideuteriomethyl)-2,4a,7,13-tetrahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol;(4R,4aR,12bS)-4,7a,10,11-tetradeuterio-3-methyl-9-(trideuteriomethoxy)-2,4a,7,13-tetrahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol;(4R,4aR,12bS)-4,7a,10,11-tetradeuterio-9-(trideuteriomethoxy)-3-(trideuteriomethyl)-2,4a,7,13-tetrahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol (CID 158943697) is (4R,4aR,12bS)-4,4a,7,7a,13,13-hexadeuterio-9-methoxy-3-methyl-1,2-dihydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol;(4R,4aR,12bS)-4,4a,7,7a,13,13-hexadeuterio-9-methoxy-3-(trideuteriomethyl)-1,2-dihydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol;(4R,4aR,12bS)-4,4a,7,7a,13,13-hexadeuterio-3-methyl-9-(trideuteriomethoxy)-1,2-dihydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol;(4R,4aR,12bS)-4,4a,7,7a,13,13-hexadeuterio-9-(trideuteriomethoxy)-3-(trideuteriomethyl)-1,2-dihydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol;(4R,4aR,12bS)-4,7,7a,10,11-pentadeuterio-9-methoxy-3-methyl-1,2,4a,13-tetrahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol;(4R,4aR,12bS)-4,7,7a,10,11-pentadeuterio-9-methoxy-3-(trideuteriomethyl)-1,2,4a,13-tetrahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol;(4R,4aR,12bS)-4,7,7a,10,11-pentadeuterio-3-methyl-9-(trideuteriomethoxy)-1,2,4a,13-tetrahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol;(4R,4aR,12bS)-4,7,7a,10,11-pentadeuterio-9-(trideuteriomethoxy)-3-(trideuteriomethyl)-1,2,4a,13-tetrahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol;(4R,4aR,12bS)-4,7a,10,11-tetradeuterio-9-methoxy-3-methyl-2,4a,7,13-tetrahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol;(4R,4aR,12bS)-4,7a,10,11-tetradeuterio-9-methoxy-3-(trideuteriomethyl)-2,4a,7,13-tetrahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol;(4R,4aR,12bS)-4,7a,10,11-tetradeuterio-3-methyl-9-(trideuteriomethoxy)-2,4a,7,13-tetrahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol;(4R,4aR,12bS)-4,7a,10,11-tetradeuterio-9-(trideuteriomethoxy)-3-(trideuteriomethyl)-2,4a,7,13-tetrahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol.
What is the SMILES notation for (4R,4aR,12bS)-4,4a,7,7a,13,13-hexadeuterio-9-methoxy-3-methyl-1,2-dihydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol;(4R,4aR,12bS)-4,4a,7,7a,13,13-hexadeuterio-9-methoxy-3-(trideuteriomethyl)-1,2-dihydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol;(4R,4aR,12bS)-4,4a,7,7a,13,13-hexadeuterio-3-methyl-9-(trideuteriomethoxy)-1,2-dihydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol;(4R,4aR,12bS)-4,4a,7,7a,13,13-hexadeuterio-9-(trideuteriomethoxy)-3-(trideuteriomethyl)-1,2-dihydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol;(4R,4aR,12bS)-4,7,7a,10,11-pentadeuterio-9-methoxy-3-methyl-1,2,4a,13-tetrahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol;(4R,4aR,12bS)-4,7,7a,10,11-pentadeuterio-9-methoxy-3-(trideuteriomethyl)-1,2,4a,13-tetrahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol;(4R,4aR,12bS)-4,7,7a,10,11-pentadeuterio-3-methyl-9-(trideuteriomethoxy)-1,2,4a,13-tetrahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol;(4R,4aR,12bS)-4,7,7a,10,11-pentadeuterio-9-(trideuteriomethoxy)-3-(trideuteriomethyl)-1,2,4a,13-tetrahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol;(4R,4aR,12bS)-4,7a,10,11-tetradeuterio-9-methoxy-3-methyl-2,4a,7,13-tetrahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol;(4R,4aR,12bS)-4,7a,10,11-tetradeuterio-9-methoxy-3-(trideuteriomethyl)-2,4a,7,13-tetrahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol;(4R,4aR,12bS)-4,7a,10,11-tetradeuterio-3-methyl-9-(trideuteriomethoxy)-2,4a,7,13-tetrahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol;(4R,4aR,12bS)-4,7a,10,11-tetradeuterio-9-(trideuteriomethoxy)-3-(trideuteriomethyl)-2,4a,7,13-tetrahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol?
The canonical SMILES for (4R,4aR,12bS)-4,4a,7,7a,13,13-hexadeuterio-9-methoxy-3-methyl-1,2-dihydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol;(4R,4aR,12bS)-4,4a,7,7a,13,13-hexadeuterio-9-methoxy-3-(trideuteriomethyl)-1,2-dihydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol;(4R,4aR,12bS)-4,4a,7,7a,13,13-hexadeuterio-3-methyl-9-(trideuteriomethoxy)-1,2-dihydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol;(4R,4aR,12bS)-4,4a,7,7a,13,13-hexadeuterio-9-(trideuteriomethoxy)-3-(trideuteriomethyl)-1,2-dihydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol;(4R,4aR,12bS)-4,7,7a,10,11-pentadeuterio-9-methoxy-3-methyl-1,2,4a,13-tetrahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol;(4R,4aR,12bS)-4,7,7a,10,11-pentadeuterio-9-methoxy-3-(trideuteriomethyl)-1,2,4a,13-tetrahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol;(4R,4aR,12bS)-4,7,7a,10,11-pentadeuterio-3-methyl-9-(trideuteriomethoxy)-1,2,4a,13-tetrahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol;(4R,4aR,12bS)-4,7,7a,10,11-pentadeuterio-9-(trideuteriomethoxy)-3-(trideuteriomethyl)-1,2,4a,13-tetrahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol;(4R,4aR,12bS)-4,7a,10,11-tetradeuterio-9-methoxy-3-methyl-2,4a,7,13-tetrahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol;(4R,4aR,12bS)-4,7a,10,11-tetradeuterio-9-methoxy-3-(trideuteriomethyl)-2,4a,7,13-tetrahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol;(4R,4aR,12bS)-4,7a,10,11-tetradeuterio-3-methyl-9-(trideuteriomethoxy)-2,4a,7,13-tetrahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol;(4R,4aR,12bS)-4,7a,10,11-tetradeuterio-9-(trideuteriomethoxy)-3-(trideuteriomethyl)-2,4a,7,13-tetrahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol is [2H]C([2H])([2H])N1CC[C@]23c4c5ccc(OC)c4OC2([2H])C([2H])(O)C=C[C@@]3([2H])[C@@]1([2H])C5([2H])[2H].[2H]C([2H])([2H])Oc1ccc2c3c1OC1([2H])C([2H])(O)C=C[C@]4([2H])[C@@]31CCN(C([2H])([2H])[2H])[C@]4([2H])C2([2H])[2H].[2H]C([2H])([2H])Oc1ccc2c3c1OC1([2H])C([2H])(O)C=C[C@]4([2H])[C@@]31CCN(C)[C@]4([2H])C2([2H])[2H].[2H]C1(O)C=C[C@]2([2H])[C@@]34CCN(C)[C@]2([2H])C([2H])([2H])c2ccc(OC)c(c23)OC14[2H].[2H]c1c([2H])c(OC([2H])([2H])[2H])c2c3c1C[C@]1([2H])[C@@H]4C=CC(O)C([2H])(O2)[C@]34CCN1C.[2H]c1c([2H])c(OC([2H])([2H])[2H])c2c3c1C[C@]1([2H])[C@@H]4C=CC(O)C([2H])(O2)[C@]34CCN1C([2H])([2H])[2H].[2H]c1c([2H])c(OC([2H])([2H])[2H])c2c3c1C[C@]1([2H])[C@@H]4C=CC([2H])(O)C([2H])(O2)[C@]34CCN1C.[2H]c1c([2H])c(OC([2H])([2H])[2H])c2c3c1C[C@]1([2H])[C@@H]4C=CC([2H])(O)C([2H])(O2)[C@]34CCN1C([2H])([2H])[2H].[2H]c1c([2H])c(OC)c2c3c1C[C@]1([2H])[C@@H]4C=CC(O)C([2H])(O2)[C@]34CCN1C.[2H]c1c([2H])c(OC)c2c3c1C[C@]1([2H])[C@@H]4C=CC(O)C([2H])(O2)[C@]34CCN1C([2H])([2H])[2H].[2H]c1c([2H])c(OC)c2c3c1C[C@]1([2H])[C@@H]4C=CC([2H])(O)C([2H])(O2)[C@]34CCN1C.[2H]c1c([2H])c(OC)c2c3c1C[C@]1([2H])[C@@H]4C=CC([2H])(O)C([2H])(O2)[C@]34CCN1C([2H])([2H])[2H].
What is the InChIKey of (4R,4aR,12bS)-4,4a,7,7a,13,13-hexadeuterio-9-methoxy-3-methyl-1,2-dihydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol;(4R,4aR,12bS)-4,4a,7,7a,13,13-hexadeuterio-9-methoxy-3-(trideuteriomethyl)-1,2-dihydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol;(4R,4aR,12bS)-4,4a,7,7a,13,13-hexadeuterio-3-methyl-9-(trideuteriomethoxy)-1,2-dihydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol;(4R,4aR,12bS)-4,4a,7,7a,13,13-hexadeuterio-9-(trideuteriomethoxy)-3-(trideuteriomethyl)-1,2-dihydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol;(4R,4aR,12bS)-4,7,7a,10,11-pentadeuterio-9-methoxy-3-methyl-1,2,4a,13-tetrahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol;(4R,4aR,12bS)-4,7,7a,10,11-pentadeuterio-9-methoxy-3-(trideuteriomethyl)-1,2,4a,13-tetrahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol;(4R,4aR,12bS)-4,7,7a,10,11-pentadeuterio-3-methyl-9-(trideuteriomethoxy)-1,2,4a,13-tetrahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol;(4R,4aR,12bS)-4,7,7a,10,11-pentadeuterio-9-(trideuteriomethoxy)-3-(trideuteriomethyl)-1,2,4a,13-tetrahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol;(4R,4aR,12bS)-4,7a,10,11-tetradeuterio-9-methoxy-3-methyl-2,4a,7,13-tetrahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol;(4R,4aR,12bS)-4,7a,10,11-tetradeuterio-9-methoxy-3-(trideuteriomethyl)-2,4a,7,13-tetrahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol;(4R,4aR,12bS)-4,7a,10,11-tetradeuterio-3-methyl-9-(trideuteriomethoxy)-2,4a,7,13-tetrahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol;(4R,4aR,12bS)-4,7a,10,11-tetradeuterio-9-(trideuteriomethoxy)-3-(trideuteriomethyl)-2,4a,7,13-tetrahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol?
The InChIKey is JKOJXMOADJWOJI-MNDPTRAESA-N. The full InChI is InChI=1S/12C18H21NO3/c12*1-19-8-7-18-11-4-5-13(20)17(18)22-16-14(21-2)6-3-10(15(16)18)9-12(11)19/h12*3-6,11-13,17,20H,7-9H2,1-2H3/t12*11-,12+,13?,17?,18-/m000000000000/s1/i1D3,2D3,9D2,11D,12D,13D,17D;1D3,2D3,3D,6D,12D,13D,17D;2D3,9D2,11D,12D,13D,17D;2D3,3D,6D,12D,13D,17D;1D3,9D2,11D,12D,13D,17D;1D3,3D,6D,12D,13D,17D;1D3,2D3,3D,6D,12D,17D;9D2,11D,12D,13D,17D;3D,6D,12D,13D,17D;2D3,3D,6D,12D,17D;1D3,3D,6D,12D,17D;3D,6D,12D,17D.
What are the key properties of (4R,4aR,12bS)-4,4a,7,7a,13,13-hexadeuterio-9-methoxy-3-methyl-1,2-dihydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol;(4R,4aR,12bS)-4,4a,7,7a,13,13-hexadeuterio-9-methoxy-3-(trideuteriomethyl)-1,2-dihydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol;(4R,4aR,12bS)-4,4a,7,7a,13,13-hexadeuterio-3-methyl-9-(trideuteriomethoxy)-1,2-dihydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol;(4R,4aR,12bS)-4,4a,7,7a,13,13-hexadeuterio-9-(trideuteriomethoxy)-3-(trideuteriomethyl)-1,2-dihydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol;(4R,4aR,12bS)-4,7,7a,10,11-pentadeuterio-9-methoxy-3-methyl-1,2,4a,13-tetrahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol;(4R,4aR,12bS)-4,7,7a,10,11-pentadeuterio-9-methoxy-3-(trideuteriomethyl)-1,2,4a,13-tetrahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol;(4R,4aR,12bS)-4,7,7a,10,11-pentadeuterio-3-methyl-9-(trideuteriomethoxy)-1,2,4a,13-tetrahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol;(4R,4aR,12bS)-4,7,7a,10,11-pentadeuterio-9-(trideuteriomethoxy)-3-(trideuteriomethyl)-1,2,4a,13-tetrahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol;(4R,4aR,12bS)-4,7a,10,11-tetradeuterio-9-methoxy-3-methyl-2,4a,7,13-tetrahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol;(4R,4aR,12bS)-4,7a,10,11-tetradeuterio-9-methoxy-3-(trideuteriomethyl)-2,4a,7,13-tetrahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol;(4R,4aR,12bS)-4,7a,10,11-tetradeuterio-3-methyl-9-(trideuteriomethoxy)-2,4a,7,13-tetrahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol;(4R,4aR,12bS)-4,7a,10,11-tetradeuterio-9-(trideuteriomethoxy)-3-(trideuteriomethyl)-2,4a,7,13-tetrahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol?
(4R,4aR,12bS)-4,4a,7,7a,13,13-hexadeuterio-9-methoxy-3-methyl-1,2-dihydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol;(4R,4aR,12bS)-4,4a,7,7a,13,13-hexadeuterio-9-methoxy-3-(trideuteriomethyl)-1,2-dihydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol;(4R,4aR,12bS)-4,4a,7,7a,13,13-hexadeuterio-3-methyl-9-(trideuteriomethoxy)-1,2-dihydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol;(4R,4aR,12bS)-4,4a,7,7a,13,13-hexadeuterio-9-(trideuteriomethoxy)-3-(trideuteriomethyl)-1,2-dihydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol;(4R,4aR,12bS)-4,7,7a,10,11-pentadeuterio-9-methoxy-3-methyl-1,2,4a,13-tetrahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol;(4R,4aR,12bS)-4,7,7a,10,11-pentadeuterio-9-methoxy-3-(trideuteriomethyl)-1,2,4a,13-tetrahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol;(4R,4aR,12bS)-4,7,7a,10,11-pentadeuterio-3-methyl-9-(trideuteriomethoxy)-1,2,4a,13-tetrahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol;(4R,4aR,12bS)-4,7,7a,10,11-pentadeuterio-9-(trideuteriomethoxy)-3-(trideuteriomethyl)-1,2,4a,13-tetrahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol;(4R,4aR,12bS)-4,7a,10,11-tetradeuterio-9-methoxy-3-methyl-2,4a,7,13-tetrahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol;(4R,4aR,12bS)-4,7a,10,11-tetradeuterio-9-methoxy-3-(trideuteriomethyl)-2,4a,7,13-tetrahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol;(4R,4aR,12bS)-4,7a,10,11-tetradeuterio-3-methyl-9-(trideuteriomethoxy)-2,4a,7,13-tetrahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol;(4R,4aR,12bS)-4,7a,10,11-tetradeuterio-9-(trideuteriomethoxy)-3-(trideuteriomethyl)-2,4a,7,13-tetrahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol has a molecular weight of 3689.03 g/mol, XLogP of 18.01, 24 rotatable bonds, 12 hydrogen bond donors, and 48 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,4aR,12bS)-4,4a,7,7a,13,13-hexadeuterio-9-methoxy-3-methyl-1,2-dihydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol;(4R,4aR,12bS)-4,4a,7,7a,13,13-hexadeuterio-9-methoxy-3-(trideuteriomethyl)-1,2-dihydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol;(4R,4aR,12bS)-4,4a,7,7a,13,13-hexadeuterio-3-methyl-9-(trideuteriomethoxy)-1,2-dihydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol;(4R,4aR,12bS)-4,4a,7,7a,13,13-hexadeuterio-9-(trideuteriomethoxy)-3-(trideuteriomethyl)-1,2-dihydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol;(4R,4aR,12bS)-4,7,7a,10,11-pentadeuterio-9-methoxy-3-methyl-1,2,4a,13-tetrahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol;(4R,4aR,12bS)-4,7,7a,10,11-pentadeuterio-9-methoxy-3-(trideuteriomethyl)-1,2,4a,13-tetrahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol;(4R,4aR,12bS)-4,7,7a,10,11-pentadeuterio-3-methyl-9-(trideuteriomethoxy)-1,2,4a,13-tetrahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol;(4R,4aR,12bS)-4,7,7a,10,11-pentadeuterio-9-(trideuteriomethoxy)-3-(trideuteriomethyl)-1,2,4a,13-tetrahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol;(4R,4aR,12bS)-4,7a,10,11-tetradeuterio-9-methoxy-3-methyl-2,4a,7,13-tetrahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol;(4R,4aR,12bS)-4,7a,10,11-tetradeuterio-9-methoxy-3-(trideuteriomethyl)-2,4a,7,13-tetrahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol;(4R,4aR,12bS)-4,7a,10,11-tetradeuterio-3-methyl-9-(trideuteriomethoxy)-2,4a,7,13-tetrahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol;(4R,4aR,12bS)-4,7a,10,11-tetradeuterio-9-(trideuteriomethoxy)-3-(trideuteriomethyl)-2,4a,7,13-tetrahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol is sourced from PubChem (CID 158943697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).