(3S,3aR,4S,6S,6aR,10S,12R,15R)-3-benzyl-6,12,15-trihydroxy-4,10,12-trimethyl-5-methylidene-2H,3H,3aH,4H,6H,6aH,9H,10H,11H,15H-cycloundeca[d]isoindol-1-one
(2R,5R,7S,11R,12S,14S,15R,16S)-16-benzyl-2,5,12-trihydroxy-5,7,14-trimethyl-13-methylidene-17-azatricyclo[9.7.0.01,15]octadeca-3,9-dien-18-one
Also Known As: (3S,3aR,4S,6S,6aR,10S,12R,15R)-3-benzyl-6,12,15-trihydroxy-4,10,12-trimethyl-5-methylidene-2H,3H,3aH,4H,6H,6aH,9H,10H,11H,15H-cycloundeca[d]isoindol-1-one
| Molecular Formula | C28H37NO4 |
|---|---|
| Molecular Weight | 451.27225 g/mol |
| LogP | 3.17 |
| Topological Polar Surface Area | 89.79 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 451.27225 |
| Heavy Atoms | 33 |
| Complexity | 951.9 |
Chemical Identifiers
| CAS Number | 53760-20-6 |
|---|---|
| SMILES | C[C@H]1CC=C[C@H]2[C@@H](C(=C)[C@H]([C@@H]3C2([C@@H](C=C[C@](C1)(C)O)O)C(=O)N[C@H]3CC4=CC=CC=C4)C)O |
Product Overview
(3S,3aR,4S,6S,6aR,10S,12R,15R)-3-benzyl-6,12,15-trihydroxy-4,10,12-trimethyl-5-methylidene-2H,3H,3aH,4H,6H,6aH,9H,10H,11H,15H-cycloundeca[d]isoindol-1-one (CAS 53760-20-6), with molecular formula C28H37NO4 and molecular weight 451.27225 g/mol. IUPAC: (2R,5R,7S,11R,12S,14S,15R,16S)-16-benzyl-2,5,12-trihydroxy-5,7,14-trimethyl-13-methylidene-17-azatricyclo[9.7.0.01,15]octadeca-3,9-dien-18-one.
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