(4R,4aS,12bS)-13,13-dideuterio-4a-hydroxy-9-methoxy-3-methyl-1,2,4,5,6,7a-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;(4R,4aS,12bS)-6,6-dideuterio-4a-hydroxy-9-methoxy-3-(trideuteriomethyl)-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;(4R,4aS,12bS)-13,13-dideuterio-4a-hydroxy-9-methoxy-3-(trideuteriomethyl)-1,2,4,5,6,7a-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;(4R,4aS,12bS)-13,13-dideuterio-4a-hydroxy-3-methyl-9-(trideuteriomethoxy)-1,2,4,5,6,7a-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;(4R,4aS,12bS)-6,6-dideuterio-4a-hydroxy-9-(trideuteriomethoxy)-3-(trideuteriomethyl)-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;(4R,4aS,12bS)-13,13-dideuterio-4a-hydroxy-9-(trideuteriomethoxy)-3-(trideuteriomethyl)-1,2,4,5,6,7a-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;(4R,4aS,12bS)-6,6,13,13-tetradeuterio-4a-hydroxy-9-methoxy-3-methyl-2,4,5,7a-tetrahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;(4R,4aS,12bS)-6,6,13,13-tetradeuterio-4a-hydroxy-9-methoxy-3-(trideuteriomethyl)-2,4,5,7a-tetrahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;(4R,4aS,12bS)-6,6,13,13-tetradeuterio-4a-hydroxy-3-methyl-9-(trideuteriomethoxy)-2,4,5,7a-tetrahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one

C162H189N9O36 — CID 158816640

IUPAC(4R,4aS,12bS)-13,13-dideuterio-4a-hydroxy-9-methoxy-3-methyl-1,2,4,5,6,7a-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;(4R,4aS,12bS)-6,6-dideuterio-4a-hydroxy-9-methoxy-3-(trideuteriomethyl)-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;(4R,4aS,12bS)-13,13-dideuterio-4a-hydroxy-9-methoxy-3-(trideuteriomethyl)-1,2,4,5,6,7a-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;(4R,4aS,12bS)-13,13-dideuterio-4a-hydroxy-3-methyl-9-(trideuteriomethoxy)-1,2,4,5,6,7a-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;(4R,4aS,12bS)-6,6-dideuterio-4a-hydroxy-9-(trideuteriomethoxy)-3-(trideuteriomethyl)-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;(4R,4aS,12bS)-13,13-dideuterio-4a-hydroxy-9-(trideuteriomethoxy)-3-(trideuteriomethyl)-1,2,4,5,6,7a-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;(4R,4aS,12bS)-6,6,13,13-tetradeuterio-4a-hydroxy-9-methoxy-3-methyl-2,4,5,7a-tetrahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;(4R,4aS,12bS)-6,6,13,13-tetradeuterio-4a-hydroxy-9-methoxy-3-(trideuteriomethyl)-2,4,5,7a-tetrahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;(4R,4aS,12bS)-6,6,13,13-tetradeuterio-4a-hydroxy-3-methyl-9-(trideuteriomethoxy)-2,4,5,7a-tetrahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one
SMILES[2H]C([2H])([2H])Oc1ccc2c3c1OC1C(=O)C([2H])([2H])C[C@@]4(O)[C@@H](C2)N(C([2H])([2H])[2H])CC[C@]314.[2H]C([2H])([2H])Oc1ccc2c3c1OC1C(=O)C([2H])([2H])C[C@@]4(O)[C@H](N(C)CC[C@]314)C2([2H])[2H].[2H]C([2H])([2H])Oc1ccc2c3c1OC1C(=O)CC[C@@]4(O)[C@H](N(C([2H])([2H])[2H])CC[C@]314)C2([2H])[2H].[2H]C([2H])([2H])Oc1ccc2c3c1OC1C(=O)CC[C@@]4(O)[C@H](N(C)CC[C@]314)C2([2H])[2H].[2H]C1([2H])C[C@@]2(O)[C@@H]3N(C([2H])([2H])[2H])CC[C@@]24c2c(ccc(OC)c2OC4C1=O)C3([2H])[2H].[2H]C1([2H])C[C@@]2(O)[C@@H]3N(C)CC[C@@]24c2c(ccc(OC)c2OC4C1=O)C3([2H])[2H].[2H]C1([2H])C[C@@]2(O)[C@H]3Cc4ccc(OC)c5c4[C@@]2(CCN3C([2H])([2H])[2H])C(O5)C1=O.[2H]C1([2H])c2ccc(OC)c3c2[C@]24CCN(C([2H])([2H])[2H])[C@H]1[C@]2(O)CCC(=O)C4O3.[2H]C1([2H])c2ccc(OC)c3c2[C@]24CCN(C)[C@H]1[C@]2(O)CCC(=O)C4O3
InChIInChI=1S/9C18H21NO4/c9*1-19-8-7-17-14-10-3-4-12(22-2)15(14)23-16(17)11(20)5-6-18(17,21)13(19)9-10/h9*3-4,13,16,21H,5-9H2,1-2H3/t9*13-,16?,17+,18-/m111111111/s1/i2D3,5D2,9D2;1D3,5D2,9D2;1D3,2D3,9D2;1D3,2D3,5D2;5D2,9D2;2D3,9D2;1D3,9D2;1D3,5D2;9D2
InChIKeyIVIWVJQBRICPLB-BUKBYYNISA-N
MW2889.63 g/mol
LogP9.43
Rot. Bonds18

About (4R,4aS,12bS)-13,13-dideuterio-4a-hydroxy-9-methoxy-3-methyl-1,2,4,5,6,7a-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;(4R,4aS,12bS)-6,6-dideuterio-4a-hydroxy-9-methoxy-3-(trideuteriomethyl)-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;(4R,4aS,12bS)-13,13-dideuterio-4a-hydroxy-9-methoxy-3-(trideuteriomethyl)-1,2,4,5,6,7a-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;(4R,4aS,12bS)-13,13-dideuterio-4a-hydroxy-3-methyl-9-(trideuteriomethoxy)-1,2,4,5,6,7a-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;(4R,4aS,12bS)-6,6-dideuterio-4a-hydroxy-9-(trideuteriomethoxy)-3-(trideuteriomethyl)-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;(4R,4aS,12bS)-13,13-dideuterio-4a-hydroxy-9-(trideuteriomethoxy)-3-(trideuteriomethyl)-1,2,4,5,6,7a-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;(4R,4aS,12bS)-6,6,13,13-tetradeuterio-4a-hydroxy-9-methoxy-3-methyl-2,4,5,7a-tetrahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;(4R,4aS,12bS)-6,6,13,13-tetradeuterio-4a-hydroxy-9-methoxy-3-(trideuteriomethyl)-2,4,5,7a-tetrahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;(4R,4aS,12bS)-6,6,13,13-tetradeuterio-4a-hydroxy-3-methyl-9-(trideuteriomethoxy)-2,4,5,7a-tetrahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one

(4R,4aS,12bS)-13,13-dideuterio-4a-hydroxy-9-methoxy-3-methyl-1,2,4,5,6,7a-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;(4R,4aS,12bS)-6,6-dideuterio-4a-hydroxy-9-methoxy-3-(trideuteriomethyl)-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;(4R,4aS,12bS)-13,13-dideuterio-4a-hydroxy-9-methoxy-3-(trideuteriomethyl)-1,2,4,5,6,7a-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;(4R,4aS,12bS)-13,13-dideuterio-4a-hydroxy-3-methyl-9-(trideuteriomethoxy)-1,2,4,5,6,7a-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;(4R,4aS,12bS)-6,6-dideuterio-4a-hydroxy-9-(trideuteriomethoxy)-3-(trideuteriomethyl)-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;(4R,4aS,12bS)-13,13-dideuterio-4a-hydroxy-9-(trideuteriomethoxy)-3-(trideuteriomethyl)-1,2,4,5,6,7a-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;(4R,4aS,12bS)-6,6,13,13-tetradeuterio-4a-hydroxy-9-methoxy-3-methyl-2,4,5,7a-tetrahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;(4R,4aS,12bS)-6,6,13,13-tetradeuterio-4a-hydroxy-9-methoxy-3-(trideuteriomethyl)-2,4,5,7a-tetrahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;(4R,4aS,12bS)-6,6,13,13-tetradeuterio-4a-hydroxy-3-methyl-9-(trideuteriomethoxy)-2,4,5,7a-tetrahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one (PubChem CID 158816640) has the molecular formula C162H189N9O36 and a molecular weight of 2889.63 g/mol. Its IUPAC name is (4R,4aS,12bS)-13,13-dideuterio-4a-hydroxy-9-methoxy-3-methyl-1,2,4,5,6,7a-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;(4R,4aS,12bS)-6,6-dideuterio-4a-hydroxy-9-methoxy-3-(trideuteriomethyl)-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;(4R,4aS,12bS)-13,13-dideuterio-4a-hydroxy-9-methoxy-3-(trideuteriomethyl)-1,2,4,5,6,7a-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;(4R,4aS,12bS)-13,13-dideuterio-4a-hydroxy-3-methyl-9-(trideuteriomethoxy)-1,2,4,5,6,7a-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;(4R,4aS,12bS)-6,6-dideuterio-4a-hydroxy-9-(trideuteriomethoxy)-3-(trideuteriomethyl)-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;(4R,4aS,12bS)-13,13-dideuterio-4a-hydroxy-9-(trideuteriomethoxy)-3-(trideuteriomethyl)-1,2,4,5,6,7a-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;(4R,4aS,12bS)-6,6,13,13-tetradeuterio-4a-hydroxy-9-methoxy-3-methyl-2,4,5,7a-tetrahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;(4R,4aS,12bS)-6,6,13,13-tetradeuterio-4a-hydroxy-9-methoxy-3-(trideuteriomethyl)-2,4,5,7a-tetrahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;(4R,4aS,12bS)-6,6,13,13-tetradeuterio-4a-hydroxy-3-methyl-9-(trideuteriomethoxy)-2,4,5,7a-tetrahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one.

Molecular Properties

Compound Name(4R,4aS,12bS)-13,13-dideuterio-4a-hydroxy-9-methoxy-3-methyl-1,2,4,5,6,7a-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;(4R,4aS,12bS)-6,6-dideuterio-4a-hydroxy-9-methoxy-3-(trideuteriomethyl)-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;(4R,4aS,12bS)-13,13-dideuterio-4a-hydroxy-9-methoxy-3-(trideuteriomethyl)-1,2,4,5,6,7a-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;(4R,4aS,12bS)-13,13-dideuterio-4a-hydroxy-3-methyl-9-(trideuteriomethoxy)-1,2,4,5,6,7a-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;(4R,4aS,12bS)-6,6-dideuterio-4a-hydroxy-9-(trideuteriomethoxy)-3-(trideuteriomethyl)-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;(4R,4aS,12bS)-13,13-dideuterio-4a-hydroxy-9-(trideuteriomethoxy)-3-(trideuteriomethyl)-1,2,4,5,6,7a-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;(4R,4aS,12bS)-6,6,13,13-tetradeuterio-4a-hydroxy-9-methoxy-3-methyl-2,4,5,7a-tetrahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;(4R,4aS,12bS)-6,6,13,13-tetradeuterio-4a-hydroxy-9-methoxy-3-(trideuteriomethyl)-2,4,5,7a-tetrahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;(4R,4aS,12bS)-6,6,13,13-tetradeuterio-4a-hydroxy-3-methyl-9-(trideuteriomethoxy)-2,4,5,7a-tetrahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one
PubChem CID158816640
Molecular FormulaC162H189N9O36
Molecular Weight2889.63 g/mol
Exact Mass2887.64
IUPAC Name(4R,4aS,12bS)-13,13-dideuterio-4a-hydroxy-9-methoxy-3-methyl-1,2,4,5,6,7a-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;(4R,4aS,12bS)-6,6-dideuterio-4a-hydroxy-9-methoxy-3-(trideuteriomethyl)-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;(4R,4aS,12bS)-13,13-dideuterio-4a-hydroxy-9-methoxy-3-(trideuteriomethyl)-1,2,4,5,6,7a-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;(4R,4aS,12bS)-13,13-dideuterio-4a-hydroxy-3-methyl-9-(trideuteriomethoxy)-1,2,4,5,6,7a-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;(4R,4aS,12bS)-6,6-dideuterio-4a-hydroxy-9-(trideuteriomethoxy)-3-(trideuteriomethyl)-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;(4R,4aS,12bS)-13,13-dideuterio-4a-hydroxy-9-(trideuteriomethoxy)-3-(trideuteriomethyl)-1,2,4,5,6,7a-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;(4R,4aS,12bS)-6,6,13,13-tetradeuterio-4a-hydroxy-9-methoxy-3-methyl-2,4,5,7a-tetrahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;(4R,4aS,12bS)-6,6,13,13-tetradeuterio-4a-hydroxy-9-methoxy-3-(trideuteriomethyl)-2,4,5,7a-tetrahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;(4R,4aS,12bS)-6,6,13,13-tetradeuterio-4a-hydroxy-3-methyl-9-(trideuteriomethoxy)-2,4,5,7a-tetrahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one
SMILES[2H]C([2H])([2H])Oc1ccc2c3c1OC1C(=O)C([2H])([2H])C[C@@]4(O)[C@@H](C2)N(C([2H])([2H])[2H])CC[C@]314.[2H]C([2H])([2H])Oc1ccc2c3c1OC1C(=O)C([2H])([2H])C[C@@]4(O)[C@H](N(C)CC[C@]314)C2([2H])[2H].[2H]C([2H])([2H])Oc1ccc2c3c1OC1C(=O)CC[C@@]4(O)[C@H](N(C([2H])([2H])[2H])CC[C@]314)C2([2H])[2H].[2H]C([2H])([2H])Oc1ccc2c3c1OC1C(=O)CC[C@@]4(O)[C@H](N(C)CC[C@]314)C2([2H])[2H].[2H]C1([2H])C[C@@]2(O)[C@@H]3N(C([2H])([2H])[2H])CC[C@@]24c2c(ccc(OC)c2OC4C1=O)C3([2H])[2H].[2H]C1([2H])C[C@@]2(O)[C@@H]3N(C)CC[C@@]24c2c(ccc(OC)c2OC4C1=O)C3([2H])[2H].[2H]C1([2H])C[C@@]2(O)[C@H]3Cc4ccc(OC)c5c4[C@@]2(CCN3C([2H])([2H])[2H])C(O5)C1=O.[2H]C1([2H])c2ccc(OC)c3c2[C@]24CCN(C([2H])([2H])[2H])[C@H]1[C@]2(O)CCC(=O)C4O3.[2H]C1([2H])c2ccc(OC)c3c2[C@]24CCN(C)[C@H]1[C@]2(O)CCC(=O)C4O3
InChIInChI=1S/9C18H21NO4/c9*1-19-8-7-17-14-10-3-4-12(22-2)15(14)23-16(17)11(20)5-6-18(17,21)13(19)9-10/h9*3-4,13,16,21H,5-9H2,1-2H3/t9*13-,16?,17+,18-/m111111111/s1/i2D3,5D2,9D2;1D3,5D2,9D2;1D3,2D3,9D2;1D3,2D3,5D2;5D2,9D2;2D3,9D2;1D3,9D2;1D3,5D2;9D2
InChIKeyIVIWVJQBRICPLB-BUKBYYNISA-N
XLogP9.43
TPSA531.00 Ų
H-Bond Donors9
H-Bond Acceptors45
Rotatable Bonds18
Heavy Atoms207
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002889.63
LogP ≤ 59.43
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1045

Analyze (4R,4aS,12bS)-13,13-dideuterio-4a-hydroxy-9-methoxy-3-methyl-1,2,4,5,6,7a-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;(4R,4aS,12bS)-6,6-dideuterio-4a-hydroxy-9-methoxy-3-(trideuteriomethyl)-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;(4R,4aS,12bS)-13,13-dideuterio-4a-hydroxy-9-methoxy-3-(trideuteriomethyl)-1,2,4,5,6,7a-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;(4R,4aS,12bS)-13,13-dideuterio-4a-hydroxy-3-methyl-9-(trideuteriomethoxy)-1,2,4,5,6,7a-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;(4R,4aS,12bS)-6,6-dideuterio-4a-hydroxy-9-(trideuteriomethoxy)-3-(trideuteriomethyl)-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;(4R,4aS,12bS)-13,13-dideuterio-4a-hydroxy-9-(trideuteriomethoxy)-3-(trideuteriomethyl)-1,2,4,5,6,7a-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;(4R,4aS,12bS)-6,6,13,13-tetradeuterio-4a-hydroxy-9-methoxy-3-methyl-2,4,5,7a-tetrahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;(4R,4aS,12bS)-6,6,13,13-tetradeuterio-4a-hydroxy-9-methoxy-3-(trideuteriomethyl)-2,4,5,7a-tetrahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;(4R,4aS,12bS)-6,6,13,13-tetradeuterio-4a-hydroxy-3-methyl-9-(trideuteriomethoxy)-2,4,5,7a-tetrahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one with MolForge

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Launch Full Analysis

Related Compounds

(12bS)-4a-hydroxy-9-methoxy-3-methyl-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one
CID 59885223
(4R)-4a-hydroxy-9-methoxy-3-methyl-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one
CID 147139420
(4R,4aS,7aR,12bS)-4a-hydroxy-9-methoxy-3-methyl-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one
CID 68767429
(4R,4aS,12bS)-13,13-dideuterio-4a-deuteriooxy-9-(trideuteriomethoxy)-3-(trideuteriomethyl)-1,2,4,5,6,7a-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one
CID 59666614
(4R,4aS,7aR,12bS)-4a-hydroxy-9-methoxy-3-methyl-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;methanol
CID 160623586
(4R,4aS,7aR,12bS)-4a,9-dihydroxy-3-methyl-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;(4R,4aS,7aR,12bS)-4a-hydroxy-9-methoxy-3-methyl-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one
CID 67005067
(4R,4aS,7aR,12bS)-4a-hydroxy-9-methoxy-3-methyl-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;cyclohexane-1,2-diol
CID 121267357
(4R,4aS,12bS)-10,11,13,13-tetradeuterio-4a-hydroxy-9-(trideuteriomethoxy)-3-(trideuteriomethyl)-1,2,4,5,6,7a-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one
CID 59667028
(4R,4aS,12bS)-4,6,6,13,13-pentadeuterio-4a-hydroxy-3-methyl-9-(trideuteriomethoxy)-1,2,5,7a-tetrahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one
CID 59666552
(4R,4aS,12bS)-7a-deuterio-4a-hydroxy-3-methyl-9-(trideuteriomethoxy)-1,2,4,5,6,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one
CID 59667056
(4R,4aS,7aR,12bS)-4a-hydroxy-9-methoxy-3-methyl-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;3-aminopropanoic acid
CID 161198004
(4R,4aS,12bS)-6,6,7a,10,11-pentadeuterio-4a-hydroxy-9-methoxy-3-methyl-2,4,5,13-tetrahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;(4R,4aS,12bS)-7a,10,11,13,13-pentadeuterio-4a-hydroxy-9-methoxy-3-methyl-2,4,5,6-tetrahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;(4R,4aS,12bS)-6,6,7a,10,11-pentadeuterio-4a-hydroxy-9-methoxy-3-(trideuteriomethyl)-2,4,5,13-tetrahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;(4R,4aS,12bS)-7a,10,11,13,13-pentadeuterio-4a-hydroxy-9-methoxy-3-(trideuteriomethyl)-2,4,5,6-tetrahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;(4R,4aS,12bS)-6,6,7a,10,11-pentadeuterio-4a-hydroxy-3-methyl-9-(trideuteriomethoxy)-2,4,5,13-tetrahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;(4R,4aS,12bS)-7a,10,11,13,13-pentadeuterio-4a-hydroxy-3-methyl-9-(trideuteriomethoxy)-2,4,5,6-tetrahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;(4R,4aS,12bS)-6,6,7a,10,11-pentadeuterio-4a-hydroxy-9-(trideuteriomethoxy)-3-(trideuteriomethyl)-2,4,5,13-tetrahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;(4R,4aS,12bS)-7a,10,11,13,13-pentadeuterio-4a-hydroxy-9-(trideuteriomethoxy)-3-(trideuteriomethyl)-2,4,5,6-tetrahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one
CID 162010126

Frequently Asked Questions

What is the IUPAC name of (4R,4aS,12bS)-13,13-dideuterio-4a-hydroxy-9-methoxy-3-methyl-1,2,4,5,6,7a-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;(4R,4aS,12bS)-6,6-dideuterio-4a-hydroxy-9-methoxy-3-(trideuteriomethyl)-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;(4R,4aS,12bS)-13,13-dideuterio-4a-hydroxy-9-methoxy-3-(trideuteriomethyl)-1,2,4,5,6,7a-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;(4R,4aS,12bS)-13,13-dideuterio-4a-hydroxy-3-methyl-9-(trideuteriomethoxy)-1,2,4,5,6,7a-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;(4R,4aS,12bS)-6,6-dideuterio-4a-hydroxy-9-(trideuteriomethoxy)-3-(trideuteriomethyl)-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;(4R,4aS,12bS)-13,13-dideuterio-4a-hydroxy-9-(trideuteriomethoxy)-3-(trideuteriomethyl)-1,2,4,5,6,7a-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;(4R,4aS,12bS)-6,6,13,13-tetradeuterio-4a-hydroxy-9-methoxy-3-methyl-2,4,5,7a-tetrahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;(4R,4aS,12bS)-6,6,13,13-tetradeuterio-4a-hydroxy-9-methoxy-3-(trideuteriomethyl)-2,4,5,7a-tetrahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;(4R,4aS,12bS)-6,6,13,13-tetradeuterio-4a-hydroxy-3-methyl-9-(trideuteriomethoxy)-2,4,5,7a-tetrahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one?
The IUPAC name of (4R,4aS,12bS)-13,13-dideuterio-4a-hydroxy-9-methoxy-3-methyl-1,2,4,5,6,7a-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;(4R,4aS,12bS)-6,6-dideuterio-4a-hydroxy-9-methoxy-3-(trideuteriomethyl)-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;(4R,4aS,12bS)-13,13-dideuterio-4a-hydroxy-9-methoxy-3-(trideuteriomethyl)-1,2,4,5,6,7a-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;(4R,4aS,12bS)-13,13-dideuterio-4a-hydroxy-3-methyl-9-(trideuteriomethoxy)-1,2,4,5,6,7a-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;(4R,4aS,12bS)-6,6-dideuterio-4a-hydroxy-9-(trideuteriomethoxy)-3-(trideuteriomethyl)-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;(4R,4aS,12bS)-13,13-dideuterio-4a-hydroxy-9-(trideuteriomethoxy)-3-(trideuteriomethyl)-1,2,4,5,6,7a-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;(4R,4aS,12bS)-6,6,13,13-tetradeuterio-4a-hydroxy-9-methoxy-3-methyl-2,4,5,7a-tetrahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;(4R,4aS,12bS)-6,6,13,13-tetradeuterio-4a-hydroxy-9-methoxy-3-(trideuteriomethyl)-2,4,5,7a-tetrahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;(4R,4aS,12bS)-6,6,13,13-tetradeuterio-4a-hydroxy-3-methyl-9-(trideuteriomethoxy)-2,4,5,7a-tetrahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one (CID 158816640) is (4R,4aS,12bS)-13,13-dideuterio-4a-hydroxy-9-methoxy-3-methyl-1,2,4,5,6,7a-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;(4R,4aS,12bS)-6,6-dideuterio-4a-hydroxy-9-methoxy-3-(trideuteriomethyl)-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;(4R,4aS,12bS)-13,13-dideuterio-4a-hydroxy-9-methoxy-3-(trideuteriomethyl)-1,2,4,5,6,7a-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;(4R,4aS,12bS)-13,13-dideuterio-4a-hydroxy-3-methyl-9-(trideuteriomethoxy)-1,2,4,5,6,7a-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;(4R,4aS,12bS)-6,6-dideuterio-4a-hydroxy-9-(trideuteriomethoxy)-3-(trideuteriomethyl)-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;(4R,4aS,12bS)-13,13-dideuterio-4a-hydroxy-9-(trideuteriomethoxy)-3-(trideuteriomethyl)-1,2,4,5,6,7a-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;(4R,4aS,12bS)-6,6,13,13-tetradeuterio-4a-hydroxy-9-methoxy-3-methyl-2,4,5,7a-tetrahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;(4R,4aS,12bS)-6,6,13,13-tetradeuterio-4a-hydroxy-9-methoxy-3-(trideuteriomethyl)-2,4,5,7a-tetrahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;(4R,4aS,12bS)-6,6,13,13-tetradeuterio-4a-hydroxy-3-methyl-9-(trideuteriomethoxy)-2,4,5,7a-tetrahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one.
What is the SMILES notation for (4R,4aS,12bS)-13,13-dideuterio-4a-hydroxy-9-methoxy-3-methyl-1,2,4,5,6,7a-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;(4R,4aS,12bS)-6,6-dideuterio-4a-hydroxy-9-methoxy-3-(trideuteriomethyl)-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;(4R,4aS,12bS)-13,13-dideuterio-4a-hydroxy-9-methoxy-3-(trideuteriomethyl)-1,2,4,5,6,7a-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;(4R,4aS,12bS)-13,13-dideuterio-4a-hydroxy-3-methyl-9-(trideuteriomethoxy)-1,2,4,5,6,7a-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;(4R,4aS,12bS)-6,6-dideuterio-4a-hydroxy-9-(trideuteriomethoxy)-3-(trideuteriomethyl)-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;(4R,4aS,12bS)-13,13-dideuterio-4a-hydroxy-9-(trideuteriomethoxy)-3-(trideuteriomethyl)-1,2,4,5,6,7a-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;(4R,4aS,12bS)-6,6,13,13-tetradeuterio-4a-hydroxy-9-methoxy-3-methyl-2,4,5,7a-tetrahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;(4R,4aS,12bS)-6,6,13,13-tetradeuterio-4a-hydroxy-9-methoxy-3-(trideuteriomethyl)-2,4,5,7a-tetrahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;(4R,4aS,12bS)-6,6,13,13-tetradeuterio-4a-hydroxy-3-methyl-9-(trideuteriomethoxy)-2,4,5,7a-tetrahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one?
The canonical SMILES for (4R,4aS,12bS)-13,13-dideuterio-4a-hydroxy-9-methoxy-3-methyl-1,2,4,5,6,7a-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;(4R,4aS,12bS)-6,6-dideuterio-4a-hydroxy-9-methoxy-3-(trideuteriomethyl)-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;(4R,4aS,12bS)-13,13-dideuterio-4a-hydroxy-9-methoxy-3-(trideuteriomethyl)-1,2,4,5,6,7a-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;(4R,4aS,12bS)-13,13-dideuterio-4a-hydroxy-3-methyl-9-(trideuteriomethoxy)-1,2,4,5,6,7a-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;(4R,4aS,12bS)-6,6-dideuterio-4a-hydroxy-9-(trideuteriomethoxy)-3-(trideuteriomethyl)-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;(4R,4aS,12bS)-13,13-dideuterio-4a-hydroxy-9-(trideuteriomethoxy)-3-(trideuteriomethyl)-1,2,4,5,6,7a-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;(4R,4aS,12bS)-6,6,13,13-tetradeuterio-4a-hydroxy-9-methoxy-3-methyl-2,4,5,7a-tetrahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;(4R,4aS,12bS)-6,6,13,13-tetradeuterio-4a-hydroxy-9-methoxy-3-(trideuteriomethyl)-2,4,5,7a-tetrahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;(4R,4aS,12bS)-6,6,13,13-tetradeuterio-4a-hydroxy-3-methyl-9-(trideuteriomethoxy)-2,4,5,7a-tetrahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one is [2H]C([2H])([2H])Oc1ccc2c3c1OC1C(=O)C([2H])([2H])C[C@@]4(O)[C@@H](C2)N(C([2H])([2H])[2H])CC[C@]314.[2H]C([2H])([2H])Oc1ccc2c3c1OC1C(=O)C([2H])([2H])C[C@@]4(O)[C@H](N(C)CC[C@]314)C2([2H])[2H].[2H]C([2H])([2H])Oc1ccc2c3c1OC1C(=O)CC[C@@]4(O)[C@H](N(C([2H])([2H])[2H])CC[C@]314)C2([2H])[2H].[2H]C([2H])([2H])Oc1ccc2c3c1OC1C(=O)CC[C@@]4(O)[C@H](N(C)CC[C@]314)C2([2H])[2H].[2H]C1([2H])C[C@@]2(O)[C@@H]3N(C([2H])([2H])[2H])CC[C@@]24c2c(ccc(OC)c2OC4C1=O)C3([2H])[2H].[2H]C1([2H])C[C@@]2(O)[C@@H]3N(C)CC[C@@]24c2c(ccc(OC)c2OC4C1=O)C3([2H])[2H].[2H]C1([2H])C[C@@]2(O)[C@H]3Cc4ccc(OC)c5c4[C@@]2(CCN3C([2H])([2H])[2H])C(O5)C1=O.[2H]C1([2H])c2ccc(OC)c3c2[C@]24CCN(C([2H])([2H])[2H])[C@H]1[C@]2(O)CCC(=O)C4O3.[2H]C1([2H])c2ccc(OC)c3c2[C@]24CCN(C)[C@H]1[C@]2(O)CCC(=O)C4O3.
What is the InChIKey of (4R,4aS,12bS)-13,13-dideuterio-4a-hydroxy-9-methoxy-3-methyl-1,2,4,5,6,7a-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;(4R,4aS,12bS)-6,6-dideuterio-4a-hydroxy-9-methoxy-3-(trideuteriomethyl)-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;(4R,4aS,12bS)-13,13-dideuterio-4a-hydroxy-9-methoxy-3-(trideuteriomethyl)-1,2,4,5,6,7a-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;(4R,4aS,12bS)-13,13-dideuterio-4a-hydroxy-3-methyl-9-(trideuteriomethoxy)-1,2,4,5,6,7a-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;(4R,4aS,12bS)-6,6-dideuterio-4a-hydroxy-9-(trideuteriomethoxy)-3-(trideuteriomethyl)-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;(4R,4aS,12bS)-13,13-dideuterio-4a-hydroxy-9-(trideuteriomethoxy)-3-(trideuteriomethyl)-1,2,4,5,6,7a-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;(4R,4aS,12bS)-6,6,13,13-tetradeuterio-4a-hydroxy-9-methoxy-3-methyl-2,4,5,7a-tetrahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;(4R,4aS,12bS)-6,6,13,13-tetradeuterio-4a-hydroxy-9-methoxy-3-(trideuteriomethyl)-2,4,5,7a-tetrahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;(4R,4aS,12bS)-6,6,13,13-tetradeuterio-4a-hydroxy-3-methyl-9-(trideuteriomethoxy)-2,4,5,7a-tetrahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one?
The InChIKey is IVIWVJQBRICPLB-BUKBYYNISA-N. The full InChI is InChI=1S/9C18H21NO4/c9*1-19-8-7-17-14-10-3-4-12(22-2)15(14)23-16(17)11(20)5-6-18(17,21)13(19)9-10/h9*3-4,13,16,21H,5-9H2,1-2H3/t9*13-,16?,17+,18-/m111111111/s1/i2D3,5D2,9D2;1D3,5D2,9D2;1D3,2D3,9D2;1D3,2D3,5D2;5D2,9D2;2D3,9D2;1D3,9D2;1D3,5D2;9D2.
What are the key properties of (4R,4aS,12bS)-13,13-dideuterio-4a-hydroxy-9-methoxy-3-methyl-1,2,4,5,6,7a-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;(4R,4aS,12bS)-6,6-dideuterio-4a-hydroxy-9-methoxy-3-(trideuteriomethyl)-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;(4R,4aS,12bS)-13,13-dideuterio-4a-hydroxy-9-methoxy-3-(trideuteriomethyl)-1,2,4,5,6,7a-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;(4R,4aS,12bS)-13,13-dideuterio-4a-hydroxy-3-methyl-9-(trideuteriomethoxy)-1,2,4,5,6,7a-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;(4R,4aS,12bS)-6,6-dideuterio-4a-hydroxy-9-(trideuteriomethoxy)-3-(trideuteriomethyl)-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;(4R,4aS,12bS)-13,13-dideuterio-4a-hydroxy-9-(trideuteriomethoxy)-3-(trideuteriomethyl)-1,2,4,5,6,7a-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;(4R,4aS,12bS)-6,6,13,13-tetradeuterio-4a-hydroxy-9-methoxy-3-methyl-2,4,5,7a-tetrahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;(4R,4aS,12bS)-6,6,13,13-tetradeuterio-4a-hydroxy-9-methoxy-3-(trideuteriomethyl)-2,4,5,7a-tetrahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;(4R,4aS,12bS)-6,6,13,13-tetradeuterio-4a-hydroxy-3-methyl-9-(trideuteriomethoxy)-2,4,5,7a-tetrahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one?
(4R,4aS,12bS)-13,13-dideuterio-4a-hydroxy-9-methoxy-3-methyl-1,2,4,5,6,7a-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;(4R,4aS,12bS)-6,6-dideuterio-4a-hydroxy-9-methoxy-3-(trideuteriomethyl)-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;(4R,4aS,12bS)-13,13-dideuterio-4a-hydroxy-9-methoxy-3-(trideuteriomethyl)-1,2,4,5,6,7a-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;(4R,4aS,12bS)-13,13-dideuterio-4a-hydroxy-3-methyl-9-(trideuteriomethoxy)-1,2,4,5,6,7a-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;(4R,4aS,12bS)-6,6-dideuterio-4a-hydroxy-9-(trideuteriomethoxy)-3-(trideuteriomethyl)-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;(4R,4aS,12bS)-13,13-dideuterio-4a-hydroxy-9-(trideuteriomethoxy)-3-(trideuteriomethyl)-1,2,4,5,6,7a-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;(4R,4aS,12bS)-6,6,13,13-tetradeuterio-4a-hydroxy-9-methoxy-3-methyl-2,4,5,7a-tetrahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;(4R,4aS,12bS)-6,6,13,13-tetradeuterio-4a-hydroxy-9-methoxy-3-(trideuteriomethyl)-2,4,5,7a-tetrahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;(4R,4aS,12bS)-6,6,13,13-tetradeuterio-4a-hydroxy-3-methyl-9-(trideuteriomethoxy)-2,4,5,7a-tetrahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one has a molecular weight of 2889.63 g/mol, XLogP of 9.43, 18 rotatable bonds, 9 hydrogen bond donors, and 45 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,4aS,12bS)-13,13-dideuterio-4a-hydroxy-9-methoxy-3-methyl-1,2,4,5,6,7a-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;(4R,4aS,12bS)-6,6-dideuterio-4a-hydroxy-9-methoxy-3-(trideuteriomethyl)-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;(4R,4aS,12bS)-13,13-dideuterio-4a-hydroxy-9-methoxy-3-(trideuteriomethyl)-1,2,4,5,6,7a-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;(4R,4aS,12bS)-13,13-dideuterio-4a-hydroxy-3-methyl-9-(trideuteriomethoxy)-1,2,4,5,6,7a-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;(4R,4aS,12bS)-6,6-dideuterio-4a-hydroxy-9-(trideuteriomethoxy)-3-(trideuteriomethyl)-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;(4R,4aS,12bS)-13,13-dideuterio-4a-hydroxy-9-(trideuteriomethoxy)-3-(trideuteriomethyl)-1,2,4,5,6,7a-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;(4R,4aS,12bS)-6,6,13,13-tetradeuterio-4a-hydroxy-9-methoxy-3-methyl-2,4,5,7a-tetrahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;(4R,4aS,12bS)-6,6,13,13-tetradeuterio-4a-hydroxy-9-methoxy-3-(trideuteriomethyl)-2,4,5,7a-tetrahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;(4R,4aS,12bS)-6,6,13,13-tetradeuterio-4a-hydroxy-3-methyl-9-(trideuteriomethoxy)-2,4,5,7a-tetrahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one is sourced from PubChem (CID 158816640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).