(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

C144H168N8O32 — CID 162010126

IUPAC(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
SMILES[2H]c1c([2H])c(OC([2H])([2H])[2H])c2c3c1C[C@H]1N(C([2H])([2H])[2H])CC[C@@]34C([2H])(O2)C(=O)C([2H])([2H])C[C@@]14O.[2H]c1c([2H])c(OC([2H])([2H])[2H])c2c3c1C[C@H]1N(C)CC[C@@]34C([2H])(O2)C(=O)C([2H])([2H])C[C@@]14O.[2H]c1c([2H])c(OC)c2c3c1C[C@H]1N(C([2H])([2H])[2H])CC[C@@]34C([2H])(O2)C(=O)C([2H])([2H])C[C@@]14O.[2H]c1c([2H])c(OC)c2c3c1C[C@H]1N(C)CC[C@@]34C([2H])(O2)C(=O)C([2H])([2H])C[C@@]14O.[2H]c1c([2H])c2c3c(c1OC([2H])([2H])[2H])OC1([2H])C(=O)CC[C@@]4(O)[C@H](N(C([2H])([2H])[2H])CC[C@]314)C2([2H])[2H].[2H]c1c([2H])c2c3c(c1OC([2H])([2H])[2H])OC1([2H])C(=O)CC[C@@]4(O)[C@H](N(C)CC[C@]314)C2([2H])[2H].[2H]c1c([2H])c2c3c(c1OC)OC1([2H])C(=O)CC[C@@]4(O)[C@H](N(C([2H])([2H])[2H])CC[C@]314)C2([2H])[2H].[2H]c1c([2H])c2c3c(c1OC)OC1([2H])C(=O)CC[C@@]4(O)[C@H](N(C)CC[C@]314)C2([2H])[2H]
InChIInChI=1S/8C18H21NO4/c8*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/h8*3-4,13,16,21H,5-9H2,1-2H3/t8*13-,16?,17+,18-/m11111111/s1/i1D3,2D3,3D,4D,9D2,16D;1D3,2D3,3D,4D,5D2,16D;2D3,3D,4D,9D2,16D;2D3,3D,4D,5D2,16D;1D3,3D,4D,9D2,16D;1D3,3D,4D,5D2,16D;3D,4D,9D2,16D;3D,4D,5D2,16D
InChIKeyYTIYWOJFPIMMFQ-AMXPQTNVSA-N
MW2587.34 g/mol
LogP8.39
Rot. Bonds16

About (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

(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 (PubChem CID 162010126) has the molecular formula C144H168N8O32 and a molecular weight of 2587.34 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID162010126
Molecular FormulaC144H168N8O32
Molecular Weight2587.34 g/mol
Exact Mass2585.58
IUPAC Name(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
SMILES[2H]c1c([2H])c(OC([2H])([2H])[2H])c2c3c1C[C@H]1N(C([2H])([2H])[2H])CC[C@@]34C([2H])(O2)C(=O)C([2H])([2H])C[C@@]14O.[2H]c1c([2H])c(OC([2H])([2H])[2H])c2c3c1C[C@H]1N(C)CC[C@@]34C([2H])(O2)C(=O)C([2H])([2H])C[C@@]14O.[2H]c1c([2H])c(OC)c2c3c1C[C@H]1N(C([2H])([2H])[2H])CC[C@@]34C([2H])(O2)C(=O)C([2H])([2H])C[C@@]14O.[2H]c1c([2H])c(OC)c2c3c1C[C@H]1N(C)CC[C@@]34C([2H])(O2)C(=O)C([2H])([2H])C[C@@]14O.[2H]c1c([2H])c2c3c(c1OC([2H])([2H])[2H])OC1([2H])C(=O)CC[C@@]4(O)[C@H](N(C([2H])([2H])[2H])CC[C@]314)C2([2H])[2H].[2H]c1c([2H])c2c3c(c1OC([2H])([2H])[2H])OC1([2H])C(=O)CC[C@@]4(O)[C@H](N(C)CC[C@]314)C2([2H])[2H].[2H]c1c([2H])c2c3c(c1OC)OC1([2H])C(=O)CC[C@@]4(O)[C@H](N(C([2H])([2H])[2H])CC[C@]314)C2([2H])[2H].[2H]c1c([2H])c2c3c(c1OC)OC1([2H])C(=O)CC[C@@]4(O)[C@H](N(C)CC[C@]314)C2([2H])[2H]
InChIInChI=1S/8C18H21NO4/c8*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/h8*3-4,13,16,21H,5-9H2,1-2H3/t8*13-,16?,17+,18-/m11111111/s1/i1D3,2D3,3D,4D,9D2,16D;1D3,2D3,3D,4D,5D2,16D;2D3,3D,4D,9D2,16D;2D3,3D,4D,5D2,16D;1D3,3D,4D,9D2,16D;1D3,3D,4D,5D2,16D;3D,4D,9D2,16D;3D,4D,5D2,16D
InChIKeyYTIYWOJFPIMMFQ-AMXPQTNVSA-N
XLogP8.39
TPSA472.00 Ų
H-Bond Donors8
H-Bond Acceptors40
Rotatable Bonds16
Heavy Atoms184
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002587.34
LogP ≤ 58.39
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1040

Analyze (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 with MolForge

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Related Compounds

(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)-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,12bS)-4,6,6,7a,10,11,13,13-octadeuterio-4a-hydroxy-9-methoxy-3-methyl-2,5-dihydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one
CID 59666953
(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
(4R,4aS,12bS)-6,6,7a-trideuterio-4a-hydroxy-9-methoxy-3-methyl-2,4,5,13-tetrahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one
CID 59666388
(4R,4aS,12bS)-6,6,10,11,13,13-hexadeuterio-4a-deuteriooxy-9-(trideuteriomethoxy)-3-(trideuteriomethyl)-2,4,5,7a-tetrahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one
CID 59667030
(4R,4aS,12bS)-10,11-dideuterio-4a-deuteriooxy-9-methoxy-3-(trideuteriomethyl)-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one
CID 59666844
(4R,4aS,12bS)-10,11,13,13-tetradeuterio-4a-deuteriooxy-9-methoxy-3-methyl-1,2,4,5,6,7a-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one
CID 59666876
(4R,4aS,12bS)-4,6,6,10,11-pentadeuterio-4a-hydroxy-9-(trideuteriomethoxy)-3-(trideuteriomethyl)-2,5,7a,13-tetrahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one
CID 59667290
(4R,4aS,12bS)-4,10,11-trideuterio-4a-deuteriooxy-9-(trideuteriomethoxy)-3-(trideuteriomethyl)-1,2,5,6,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one
CID 59666393
(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,12bS)-4,6,6,10,11,13,13-heptadeuterio-4a-deuteriooxy-9-methoxy-3-(trideuteriomethyl)-1,2,5,7a-tetrahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one
CID 59666710

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is [2H]c1c([2H])c(OC([2H])([2H])[2H])c2c3c1C[C@H]1N(C([2H])([2H])[2H])CC[C@@]34C([2H])(O2)C(=O)C([2H])([2H])C[C@@]14O.[2H]c1c([2H])c(OC([2H])([2H])[2H])c2c3c1C[C@H]1N(C)CC[C@@]34C([2H])(O2)C(=O)C([2H])([2H])C[C@@]14O.[2H]c1c([2H])c(OC)c2c3c1C[C@H]1N(C([2H])([2H])[2H])CC[C@@]34C([2H])(O2)C(=O)C([2H])([2H])C[C@@]14O.[2H]c1c([2H])c(OC)c2c3c1C[C@H]1N(C)CC[C@@]34C([2H])(O2)C(=O)C([2H])([2H])C[C@@]14O.[2H]c1c([2H])c2c3c(c1OC([2H])([2H])[2H])OC1([2H])C(=O)CC[C@@]4(O)[C@H](N(C([2H])([2H])[2H])CC[C@]314)C2([2H])[2H].[2H]c1c([2H])c2c3c(c1OC([2H])([2H])[2H])OC1([2H])C(=O)CC[C@@]4(O)[C@H](N(C)CC[C@]314)C2([2H])[2H].[2H]c1c([2H])c2c3c(c1OC)OC1([2H])C(=O)CC[C@@]4(O)[C@H](N(C([2H])([2H])[2H])CC[C@]314)C2([2H])[2H].[2H]c1c([2H])c2c3c(c1OC)OC1([2H])C(=O)CC[C@@]4(O)[C@H](N(C)CC[C@]314)C2([2H])[2H].
What is the InChIKey of (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?
The InChIKey is YTIYWOJFPIMMFQ-AMXPQTNVSA-N. The full InChI is InChI=1S/8C18H21NO4/c8*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/h8*3-4,13,16,21H,5-9H2,1-2H3/t8*13-,16?,17+,18-/m11111111/s1/i1D3,2D3,3D,4D,9D2,16D;1D3,2D3,3D,4D,5D2,16D;2D3,3D,4D,9D2,16D;2D3,3D,4D,5D2,16D;1D3,3D,4D,9D2,16D;1D3,3D,4D,5D2,16D;3D,4D,9D2,16D;3D,4D,5D2,16D.
What are the key properties of (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?
(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 has a molecular weight of 2587.34 g/mol, XLogP of 8.39, 16 rotatable bonds, 8 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 162010126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).