(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

C144H168N8O24 — CID 159423524

About (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

(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 (PubChem CID 159423524) has the molecular formula C144H168N8O24 and a molecular weight of 2439.23 g/mol. Its IUPAC name is (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.

Molecular Properties

• Compound Name: (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
• PubChem CID: 159423524
• Molecular Formula: C144H168N8O24
• Molecular Weight: 2439.23 g/mol
• Exact Mass: 2437.49
• IUPAC Name: (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
• SMILES: [2H]C([2H])([2H])N1CC[C@]23c4c5ccc(OC)c4OC2([2H])C(O)C=C[C@H]3[C@@]1([2H])C5.[2H]C([2H])([2H])N1CC[C@]23c4c5ccc(OC)c4OC2([2H])C([2H])(O)C=C[C@H]3[C@@]1([2H])C5.[2H]C([2H])([2H])Oc1ccc2c3c1OC1([2H])C(O)C=C[C@H]4[C@@]([2H])(C2)N(C([2H])([2H])[2H])CC[C@@]341.[2H]C([2H])([2H])Oc1ccc2c3c1OC1([2H])C(O)C=C[C@H]4[C@@]([2H])(C2)N(C)CC[C@@]341.[2H]C([2H])([2H])Oc1ccc2c3c1OC1([2H])C([2H])(O)C=C[C@H]4[C@@]([2H])(C2)N(C([2H])([2H])[2H])CC[C@@]341.[2H]C([2H])([2H])Oc1ccc2c3c1OC1([2H])C([2H])(O)C=C[C@H]4[C@@]([2H])(C2)N(C)CC[C@@]341.[2H]C1(O)C=C[C@H]2[C@@]3([2H])Cc4ccc(OC)c5c4[C@@]2(CCN3C)C1([2H])O5.[2H]C12Oc3c(OC)ccc4c3[C@@]13CCN(C)[C@]([2H])(C4)[C@@H]3C=CC2O
• InChI: InChI=1S/8C18H21NO3/c8*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/h8*3-6,11-13,17,20H,7-9H2,1-2H3/t8*11-,12+,13?,17?,18-/m00000000/s1/i1D3,2D3,12D,13D,17D;2D3,12D,13D,17D;1D3,12D,13D,17D;1D3,2D3,12D,17D;12D,13D,17D;2D3,12D,17D;1D3,12D,17D;12D,17D
• InChIKey: LQBFBXDPLJGMAV-GEBDJOMSSA-N
• XLogP: 12.01
• TPSA: 335.44 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 32
• Rotatable Bonds: 16
• Heavy Atoms: 176
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2439.23
LogP ≤ 5	12.01
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	32

Frequently Asked Questions

What is the IUPAC name of (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?

The IUPAC name of (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) is (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.

What is the SMILES notation for (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?

The canonical SMILES for (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 is [2H]C([2H])([2H])N1CC[C@]23c4c5ccc(OC)c4OC2([2H])C(O)C=C[C@H]3[C@@]1([2H])C5.[2H]C([2H])([2H])N1CC[C@]23c4c5ccc(OC)c4OC2([2H])C([2H])(O)C=C[C@H]3[C@@]1([2H])C5.[2H]C([2H])([2H])Oc1ccc2c3c1OC1([2H])C(O)C=C[C@H]4[C@@]([2H])(C2)N(C([2H])([2H])[2H])CC[C@@]341.[2H]C([2H])([2H])Oc1ccc2c3c1OC1([2H])C(O)C=C[C@H]4[C@@]([2H])(C2)N(C)CC[C@@]341.[2H]C([2H])([2H])Oc1ccc2c3c1OC1([2H])C([2H])(O)C=C[C@H]4[C@@]([2H])(C2)N(C([2H])([2H])[2H])CC[C@@]341.[2H]C([2H])([2H])Oc1ccc2c3c1OC1([2H])C([2H])(O)C=C[C@H]4[C@@]([2H])(C2)N(C)CC[C@@]341.[2H]C1(O)C=C[C@H]2[C@@]3([2H])Cc4ccc(OC)c5c4[C@@]2(CCN3C)C1([2H])O5.[2H]C12Oc3c(OC)ccc4c3[C@@]13CCN(C)[C@]([2H])(C4)[C@@H]3C=CC2O.

What is the InChIKey of (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?

The InChIKey is LQBFBXDPLJGMAV-GEBDJOMSSA-N. The full InChI is InChI=1S/8C18H21NO3/c8*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/h8*3-6,11-13,17,20H,7-9H2,1-2H3/t8*11-,12+,13?,17?,18-/m00000000/s1/i1D3,2D3,12D,13D,17D;2D3,12D,13D,17D;1D3,12D,13D,17D;1D3,2D3,12D,17D;12D,13D,17D;2D3,12D,17D;1D3,12D,17D;12D,17D.

What are the key properties of (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?

(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 has a molecular weight of 2439.23 g/mol, XLogP of 12.01, 16 rotatable bonds, 8 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for (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 is sourced from PubChem (CID 159423524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).