(4R,4aR,12bS)-4a,6,6-trideuterio-9-methoxy-3-methyl-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;(4R,4aR,12bS)-4a,13,13-trideuterio-9-methoxy-3-methyl-1,2,4,5,6,7a-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;(4R,4aR,12bS)-4a,6,6-trideuterio-9-methoxy-3-(trideuteriomethyl)-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;(4R,4aR,12bS)-4a,13,13-trideuterio-9-methoxy-3-(trideuteriomethyl)-1,2,4,5,6,7a-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;(4R,4aR,12bS)-4a,6,6-trideuterio-3-methyl-9-(trideuteriomethoxy)-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;(4R,4aR,12bS)-4a,13,13-trideuterio-3-methyl-9-(trideuteriomethoxy)-1,2,4,5,6,7a-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;(4R,4aR,12bS)-4a,6,6-trideuterio-9-(trideuteriomethoxy)-3-(trideuteriomethyl)-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;(4R,4aR,12bS)-4a,13,13-trideuterio-9-(trideuteriomethoxy)-3-(trideuteriomethyl)-1,2,4,5,6,7a-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one

C144H168N8O24 — CID 158880982

About (4R,4aR,12bS)-4a,6,6-trideuterio-9-methoxy-3-methyl-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;(4R,4aR,12bS)-4a,13,13-trideuterio-9-methoxy-3-methyl-1,2,4,5,6,7a-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;(4R,4aR,12bS)-4a,6,6-trideuterio-9-methoxy-3-(trideuteriomethyl)-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;(4R,4aR,12bS)-4a,13,13-trideuterio-9-methoxy-3-(trideuteriomethyl)-1,2,4,5,6,7a-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;(4R,4aR,12bS)-4a,6,6-trideuterio-3-methyl-9-(trideuteriomethoxy)-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;(4R,4aR,12bS)-4a,13,13-trideuterio-3-methyl-9-(trideuteriomethoxy)-1,2,4,5,6,7a-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;(4R,4aR,12bS)-4a,6,6-trideuterio-9-(trideuteriomethoxy)-3-(trideuteriomethyl)-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;(4R,4aR,12bS)-4a,13,13-trideuterio-9-(trideuteriomethoxy)-3-(trideuteriomethyl)-1,2,4,5,6,7a-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one

(4R,4aR,12bS)-4a,6,6-trideuterio-9-methoxy-3-methyl-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;(4R,4aR,12bS)-4a,13,13-trideuterio-9-methoxy-3-methyl-1,2,4,5,6,7a-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;(4R,4aR,12bS)-4a,6,6-trideuterio-9-methoxy-3-(trideuteriomethyl)-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;(4R,4aR,12bS)-4a,13,13-trideuterio-9-methoxy-3-(trideuteriomethyl)-1,2,4,5,6,7a-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;(4R,4aR,12bS)-4a,6,6-trideuterio-3-methyl-9-(trideuteriomethoxy)-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;(4R,4aR,12bS)-4a,13,13-trideuterio-3-methyl-9-(trideuteriomethoxy)-1,2,4,5,6,7a-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;(4R,4aR,12bS)-4a,6,6-trideuterio-9-(trideuteriomethoxy)-3-(trideuteriomethyl)-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;(4R,4aR,12bS)-4a,13,13-trideuterio-9-(trideuteriomethoxy)-3-(trideuteriomethyl)-1,2,4,5,6,7a-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one (PubChem CID 158880982) has the molecular formula C144H168N8O24 and a molecular weight of 2443.25 g/mol. Its IUPAC name is (4R,4aR,12bS)-4a,6,6-trideuterio-9-methoxy-3-methyl-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;(4R,4aR,12bS)-4a,13,13-trideuterio-9-methoxy-3-methyl-1,2,4,5,6,7a-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;(4R,4aR,12bS)-4a,6,6-trideuterio-9-methoxy-3-(trideuteriomethyl)-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;(4R,4aR,12bS)-4a,13,13-trideuterio-9-methoxy-3-(trideuteriomethyl)-1,2,4,5,6,7a-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;(4R,4aR,12bS)-4a,6,6-trideuterio-3-methyl-9-(trideuteriomethoxy)-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;(4R,4aR,12bS)-4a,13,13-trideuterio-3-methyl-9-(trideuteriomethoxy)-1,2,4,5,6,7a-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;(4R,4aR,12bS)-4a,6,6-trideuterio-9-(trideuteriomethoxy)-3-(trideuteriomethyl)-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;(4R,4aR,12bS)-4a,13,13-trideuterio-9-(trideuteriomethoxy)-3-(trideuteriomethyl)-1,2,4,5,6,7a-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one.

Molecular Properties

• Compound Name: (4R,4aR,12bS)-4a,6,6-trideuterio-9-methoxy-3-methyl-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;(4R,4aR,12bS)-4a,13,13-trideuterio-9-methoxy-3-methyl-1,2,4,5,6,7a-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;(4R,4aR,12bS)-4a,6,6-trideuterio-9-methoxy-3-(trideuteriomethyl)-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;(4R,4aR,12bS)-4a,13,13-trideuterio-9-methoxy-3-(trideuteriomethyl)-1,2,4,5,6,7a-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;(4R,4aR,12bS)-4a,6,6-trideuterio-3-methyl-9-(trideuteriomethoxy)-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;(4R,4aR,12bS)-4a,13,13-trideuterio-3-methyl-9-(trideuteriomethoxy)-1,2,4,5,6,7a-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;(4R,4aR,12bS)-4a,6,6-trideuterio-9-(trideuteriomethoxy)-3-(trideuteriomethyl)-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;(4R,4aR,12bS)-4a,13,13-trideuterio-9-(trideuteriomethoxy)-3-(trideuteriomethyl)-1,2,4,5,6,7a-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one
• PubChem CID: 158880982
• Molecular Formula: C144H168N8O24
• Molecular Weight: 2443.25 g/mol
• Exact Mass: 2441.52
• IUPAC Name: (4R,4aR,12bS)-4a,6,6-trideuterio-9-methoxy-3-methyl-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;(4R,4aR,12bS)-4a,13,13-trideuterio-9-methoxy-3-methyl-1,2,4,5,6,7a-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;(4R,4aR,12bS)-4a,6,6-trideuterio-9-methoxy-3-(trideuteriomethyl)-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;(4R,4aR,12bS)-4a,13,13-trideuterio-9-methoxy-3-(trideuteriomethyl)-1,2,4,5,6,7a-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;(4R,4aR,12bS)-4a,6,6-trideuterio-3-methyl-9-(trideuteriomethoxy)-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;(4R,4aR,12bS)-4a,13,13-trideuterio-3-methyl-9-(trideuteriomethoxy)-1,2,4,5,6,7a-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;(4R,4aR,12bS)-4a,6,6-trideuterio-9-(trideuteriomethoxy)-3-(trideuteriomethyl)-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;(4R,4aR,12bS)-4a,13,13-trideuterio-9-(trideuteriomethoxy)-3-(trideuteriomethyl)-1,2,4,5,6,7a-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one
• SMILES: [2H]C([2H])([2H])Oc1ccc2c3c1OC1C(=O)C([2H])([2H])C[C@@]4([2H])[C@@H](C2)N(C([2H])([2H])[2H])CC[C@]314.[2H]C([2H])([2H])Oc1ccc2c3c1OC1C(=O)C([2H])([2H])C[C@@]4([2H])[C@@H](C2)N(C)CC[C@]314.[2H]C([2H])([2H])Oc1ccc2c3c1OC1C(=O)CC[C@@]4([2H])[C@H](N(C([2H])([2H])[2H])CC[C@]314)C2([2H])[2H].[2H]C([2H])([2H])Oc1ccc2c3c1OC1C(=O)CC[C@@]4([2H])[C@H](N(C)CC[C@]314)C2([2H])[2H].[2H]C1([2H])C[C@@]2([2H])[C@H]3Cc4ccc(OC)c5c4[C@@]2(CCN3C([2H])([2H])[2H])C(O5)C1=O.[2H]C1([2H])C[C@@]2([2H])[C@H]3Cc4ccc(OC)c5c4[C@@]2(CCN3C)C(O5)C1=O.[2H]C1([2H])c2ccc(OC)c3c2[C@]24CCN(C([2H])([2H])[2H])[C@H]1[C@]2([2H])CCC(=O)C4O3.[2H]C1([2H])c2ccc(OC)c3c2[C@]24CCN(C)[C@H]1[C@]2([2H])CCC(=O)C4O3
• 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*3,6,11-12,17H,4-5,7-9H2,1-2H3/t8*11-,12+,17?,18-/m00000000/s1/i1D3,2D3,9D2,11D;1D3,2D3,5D2,11D;2D3,9D2,11D;2D3,5D2,11D;1D3,9D2,11D;1D3,5D2,11D;9D2,11D;5D2,11D
• InChIKey: JDAFRCGJMVNPOQ-UAPMRJJVSA-N
• XLogP: 15.47
• TPSA: 310.16 Ų
• H-Bond Acceptors: 32
• Rotatable Bonds: 16
• Heavy Atoms: 176
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2443.25
LogP ≤ 5	15.47
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	32

Frequently Asked Questions

What is the IUPAC name of (4R,4aR,12bS)-4a,6,6-trideuterio-9-methoxy-3-methyl-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;(4R,4aR,12bS)-4a,13,13-trideuterio-9-methoxy-3-methyl-1,2,4,5,6,7a-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;(4R,4aR,12bS)-4a,6,6-trideuterio-9-methoxy-3-(trideuteriomethyl)-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;(4R,4aR,12bS)-4a,13,13-trideuterio-9-methoxy-3-(trideuteriomethyl)-1,2,4,5,6,7a-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;(4R,4aR,12bS)-4a,6,6-trideuterio-3-methyl-9-(trideuteriomethoxy)-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;(4R,4aR,12bS)-4a,13,13-trideuterio-3-methyl-9-(trideuteriomethoxy)-1,2,4,5,6,7a-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;(4R,4aR,12bS)-4a,6,6-trideuterio-9-(trideuteriomethoxy)-3-(trideuteriomethyl)-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;(4R,4aR,12bS)-4a,13,13-trideuterio-9-(trideuteriomethoxy)-3-(trideuteriomethyl)-1,2,4,5,6,7a-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one?

The IUPAC name of (4R,4aR,12bS)-4a,6,6-trideuterio-9-methoxy-3-methyl-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;(4R,4aR,12bS)-4a,13,13-trideuterio-9-methoxy-3-methyl-1,2,4,5,6,7a-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;(4R,4aR,12bS)-4a,6,6-trideuterio-9-methoxy-3-(trideuteriomethyl)-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;(4R,4aR,12bS)-4a,13,13-trideuterio-9-methoxy-3-(trideuteriomethyl)-1,2,4,5,6,7a-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;(4R,4aR,12bS)-4a,6,6-trideuterio-3-methyl-9-(trideuteriomethoxy)-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;(4R,4aR,12bS)-4a,13,13-trideuterio-3-methyl-9-(trideuteriomethoxy)-1,2,4,5,6,7a-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;(4R,4aR,12bS)-4a,6,6-trideuterio-9-(trideuteriomethoxy)-3-(trideuteriomethyl)-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;(4R,4aR,12bS)-4a,13,13-trideuterio-9-(trideuteriomethoxy)-3-(trideuteriomethyl)-1,2,4,5,6,7a-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one (CID 158880982) is (4R,4aR,12bS)-4a,6,6-trideuterio-9-methoxy-3-methyl-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;(4R,4aR,12bS)-4a,13,13-trideuterio-9-methoxy-3-methyl-1,2,4,5,6,7a-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;(4R,4aR,12bS)-4a,6,6-trideuterio-9-methoxy-3-(trideuteriomethyl)-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;(4R,4aR,12bS)-4a,13,13-trideuterio-9-methoxy-3-(trideuteriomethyl)-1,2,4,5,6,7a-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;(4R,4aR,12bS)-4a,6,6-trideuterio-3-methyl-9-(trideuteriomethoxy)-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;(4R,4aR,12bS)-4a,13,13-trideuterio-3-methyl-9-(trideuteriomethoxy)-1,2,4,5,6,7a-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;(4R,4aR,12bS)-4a,6,6-trideuterio-9-(trideuteriomethoxy)-3-(trideuteriomethyl)-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;(4R,4aR,12bS)-4a,13,13-trideuterio-9-(trideuteriomethoxy)-3-(trideuteriomethyl)-1,2,4,5,6,7a-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one.

What is the SMILES notation for (4R,4aR,12bS)-4a,6,6-trideuterio-9-methoxy-3-methyl-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;(4R,4aR,12bS)-4a,13,13-trideuterio-9-methoxy-3-methyl-1,2,4,5,6,7a-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;(4R,4aR,12bS)-4a,6,6-trideuterio-9-methoxy-3-(trideuteriomethyl)-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;(4R,4aR,12bS)-4a,13,13-trideuterio-9-methoxy-3-(trideuteriomethyl)-1,2,4,5,6,7a-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;(4R,4aR,12bS)-4a,6,6-trideuterio-3-methyl-9-(trideuteriomethoxy)-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;(4R,4aR,12bS)-4a,13,13-trideuterio-3-methyl-9-(trideuteriomethoxy)-1,2,4,5,6,7a-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;(4R,4aR,12bS)-4a,6,6-trideuterio-9-(trideuteriomethoxy)-3-(trideuteriomethyl)-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;(4R,4aR,12bS)-4a,13,13-trideuterio-9-(trideuteriomethoxy)-3-(trideuteriomethyl)-1,2,4,5,6,7a-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one?

The canonical SMILES for (4R,4aR,12bS)-4a,6,6-trideuterio-9-methoxy-3-methyl-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;(4R,4aR,12bS)-4a,13,13-trideuterio-9-methoxy-3-methyl-1,2,4,5,6,7a-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;(4R,4aR,12bS)-4a,6,6-trideuterio-9-methoxy-3-(trideuteriomethyl)-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;(4R,4aR,12bS)-4a,13,13-trideuterio-9-methoxy-3-(trideuteriomethyl)-1,2,4,5,6,7a-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;(4R,4aR,12bS)-4a,6,6-trideuterio-3-methyl-9-(trideuteriomethoxy)-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;(4R,4aR,12bS)-4a,13,13-trideuterio-3-methyl-9-(trideuteriomethoxy)-1,2,4,5,6,7a-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;(4R,4aR,12bS)-4a,6,6-trideuterio-9-(trideuteriomethoxy)-3-(trideuteriomethyl)-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;(4R,4aR,12bS)-4a,13,13-trideuterio-9-(trideuteriomethoxy)-3-(trideuteriomethyl)-1,2,4,5,6,7a-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one is [2H]C([2H])([2H])Oc1ccc2c3c1OC1C(=O)C([2H])([2H])C[C@@]4([2H])[C@@H](C2)N(C([2H])([2H])[2H])CC[C@]314.[2H]C([2H])([2H])Oc1ccc2c3c1OC1C(=O)C([2H])([2H])C[C@@]4([2H])[C@@H](C2)N(C)CC[C@]314.[2H]C([2H])([2H])Oc1ccc2c3c1OC1C(=O)CC[C@@]4([2H])[C@H](N(C([2H])([2H])[2H])CC[C@]314)C2([2H])[2H].[2H]C([2H])([2H])Oc1ccc2c3c1OC1C(=O)CC[C@@]4([2H])[C@H](N(C)CC[C@]314)C2([2H])[2H].[2H]C1([2H])C[C@@]2([2H])[C@H]3Cc4ccc(OC)c5c4[C@@]2(CCN3C([2H])([2H])[2H])C(O5)C1=O.[2H]C1([2H])C[C@@]2([2H])[C@H]3Cc4ccc(OC)c5c4[C@@]2(CCN3C)C(O5)C1=O.[2H]C1([2H])c2ccc(OC)c3c2[C@]24CCN(C([2H])([2H])[2H])[C@H]1[C@]2([2H])CCC(=O)C4O3.[2H]C1([2H])c2ccc(OC)c3c2[C@]24CCN(C)[C@H]1[C@]2([2H])CCC(=O)C4O3.

What is the InChIKey of (4R,4aR,12bS)-4a,6,6-trideuterio-9-methoxy-3-methyl-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;(4R,4aR,12bS)-4a,13,13-trideuterio-9-methoxy-3-methyl-1,2,4,5,6,7a-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;(4R,4aR,12bS)-4a,6,6-trideuterio-9-methoxy-3-(trideuteriomethyl)-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;(4R,4aR,12bS)-4a,13,13-trideuterio-9-methoxy-3-(trideuteriomethyl)-1,2,4,5,6,7a-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;(4R,4aR,12bS)-4a,6,6-trideuterio-3-methyl-9-(trideuteriomethoxy)-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;(4R,4aR,12bS)-4a,13,13-trideuterio-3-methyl-9-(trideuteriomethoxy)-1,2,4,5,6,7a-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;(4R,4aR,12bS)-4a,6,6-trideuterio-9-(trideuteriomethoxy)-3-(trideuteriomethyl)-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;(4R,4aR,12bS)-4a,13,13-trideuterio-9-(trideuteriomethoxy)-3-(trideuteriomethyl)-1,2,4,5,6,7a-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one?

The InChIKey is JDAFRCGJMVNPOQ-UAPMRJJVSA-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*3,6,11-12,17H,4-5,7-9H2,1-2H3/t8*11-,12+,17?,18-/m00000000/s1/i1D3,2D3,9D2,11D;1D3,2D3,5D2,11D;2D3,9D2,11D;2D3,5D2,11D;1D3,9D2,11D;1D3,5D2,11D;9D2,11D;5D2,11D.

What are the key properties of (4R,4aR,12bS)-4a,6,6-trideuterio-9-methoxy-3-methyl-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;(4R,4aR,12bS)-4a,13,13-trideuterio-9-methoxy-3-methyl-1,2,4,5,6,7a-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;(4R,4aR,12bS)-4a,6,6-trideuterio-9-methoxy-3-(trideuteriomethyl)-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;(4R,4aR,12bS)-4a,13,13-trideuterio-9-methoxy-3-(trideuteriomethyl)-1,2,4,5,6,7a-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;(4R,4aR,12bS)-4a,6,6-trideuterio-3-methyl-9-(trideuteriomethoxy)-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;(4R,4aR,12bS)-4a,13,13-trideuterio-3-methyl-9-(trideuteriomethoxy)-1,2,4,5,6,7a-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;(4R,4aR,12bS)-4a,6,6-trideuterio-9-(trideuteriomethoxy)-3-(trideuteriomethyl)-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;(4R,4aR,12bS)-4a,13,13-trideuterio-9-(trideuteriomethoxy)-3-(trideuteriomethyl)-1,2,4,5,6,7a-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one?

(4R,4aR,12bS)-4a,6,6-trideuterio-9-methoxy-3-methyl-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;(4R,4aR,12bS)-4a,13,13-trideuterio-9-methoxy-3-methyl-1,2,4,5,6,7a-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;(4R,4aR,12bS)-4a,6,6-trideuterio-9-methoxy-3-(trideuteriomethyl)-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;(4R,4aR,12bS)-4a,13,13-trideuterio-9-methoxy-3-(trideuteriomethyl)-1,2,4,5,6,7a-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;(4R,4aR,12bS)-4a,6,6-trideuterio-3-methyl-9-(trideuteriomethoxy)-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;(4R,4aR,12bS)-4a,13,13-trideuterio-3-methyl-9-(trideuteriomethoxy)-1,2,4,5,6,7a-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;(4R,4aR,12bS)-4a,6,6-trideuterio-9-(trideuteriomethoxy)-3-(trideuteriomethyl)-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;(4R,4aR,12bS)-4a,13,13-trideuterio-9-(trideuteriomethoxy)-3-(trideuteriomethyl)-1,2,4,5,6,7a-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one has a molecular weight of 2443.25 g/mol, XLogP of 15.47, 16 rotatable bonds, 0 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for (4R,4aR,12bS)-4a,6,6-trideuterio-9-methoxy-3-methyl-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;(4R,4aR,12bS)-4a,13,13-trideuterio-9-methoxy-3-methyl-1,2,4,5,6,7a-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;(4R,4aR,12bS)-4a,6,6-trideuterio-9-methoxy-3-(trideuteriomethyl)-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;(4R,4aR,12bS)-4a,13,13-trideuterio-9-methoxy-3-(trideuteriomethyl)-1,2,4,5,6,7a-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;(4R,4aR,12bS)-4a,6,6-trideuterio-3-methyl-9-(trideuteriomethoxy)-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;(4R,4aR,12bS)-4a,13,13-trideuterio-3-methyl-9-(trideuteriomethoxy)-1,2,4,5,6,7a-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;(4R,4aR,12bS)-4a,6,6-trideuterio-9-(trideuteriomethoxy)-3-(trideuteriomethyl)-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;(4R,4aR,12bS)-4a,13,13-trideuterio-9-(trideuteriomethoxy)-3-(trideuteriomethyl)-1,2,4,5,6,7a-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one is sourced from PubChem (CID 158880982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).