N-Acetyljervine
(3S,3'R,3'aS,6'S,6aS,6bS,7'aR,9R,11aS,11bR)-4'-acetyl-3-hydroxy-3',6',10,11b-tetramethylspiro[1,2,3,4,6,6a,6b,7,8,11a-decahydrobenzo[a]fluorene-9,2'-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyridine]-11-one
Also Known As: N-Acetyljervine|O-Acetyljervine|JERVINE, N-ACETYL-|KST-1A2570|28-Acetyl-3-hydroxy-17,23-epoxyveratraman-11-one|(3|A,22s,23r)-28-acetyl-3-hydroxy-17,23-epoxyveratraman-11-one|(22S,23R)-28-Acetyl-3beta-hydroxy-17beta-17,23-epoxyveratraman-11-one|(3S,3'R,3'aS,6'S,6aS,6bS,7'aR,9R,11aS,11bR)-4'-acetyl-3-hydroxy-3',6',10,11b-tetramethylspiro[1,2,3,4,6,6a,6b,7,8,11a-decahydrobenzo[a]fluorene-9,2'-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyridine]-11-one
| Molecular Formula | C29H41NO4 |
|---|---|
| Molecular Weight | 467.30356 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 66.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 467.30356 |
| Monoisotopic Mass | 467.30356 |
| Heavy Atoms | 34 |
| Complexity | 998.0 |
Chemical Identifiers
| CAS Number | 17009-03-9 |
|---|---|
| SMILES | C[C@H]1C[C@@H]2[C@H]([C@H]([C@]3(O2)CC[C@H]4[C@@H]5CC=C6C[C@H](CC[C@@]6([C@H]5C(=O)C4=C3C)C)O)C)N(C1)C(=O)C |
| InChIKey | JZUCJYFWBDCEME-CXKDDGKJSA-N |
Product Overview
N-Acetyljervine (CAS 17009-03-9), with molecular formula C29H41NO4 and molecular weight 467.30356 g/mol. IUPAC: (3S,3'R,3'aS,6'S,6aS,6bS,7'aR,9R,11aS,11bR)-4'-acetyl-3-hydroxy-3',6',10,11b-tetramethylspiro[1,2,3,4,6,6a,6b,7,8,11a-decahydrobenzo[a]fluorene-9,2'-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyridine]-11-one.
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