Kokoononol
(4R,4aS,6bR,8aS,12aR,14aS)-6a-(hydroxymethyl)-4,4a,6b,8a,11,11,14a-heptamethyl-1,2,4,5,6,6a,7,8,9,12,12a,13,14,14b-tetradecahydropicene-3,10-dione
Also Known As: Kokoononol|D:A-Friedooleanane-3, 27-hydroxy|D:A-Friedooleanane-3,21-dione, 27-hydroxy|From inner stem bark of Kokoona zeylanica Thwaites plant|(4R,4aS,6bR,8aS,12aR,14aS)-6a-(hydroxymethyl)-4,4a,6b,8a,11,11,14a-heptamethyl-1,2,4,5,6,6a,7,8,9,12,12a,13,14,14b-tetradecahydropicene-3,10-dione|(4aS,6aR,8aS,9R,12bS,14bR)-14a-(Hydroxymethyl)-2,2,4a,6a,8a,9,12b-heptamethylicosahydropicene-3,10-dione
| Molecular Formula | C30H48O3 |
|---|---|
| Molecular Weight | 456.36035 g/mol |
| LogP | 6.5 |
| Topological Polar Surface Area | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 456.36035 |
| Monoisotopic Mass | 456.36035 |
| Heavy Atoms | 33 |
| Complexity | 876.0 |
Chemical Identifiers
| CAS Number | 72183-90-5 |
|---|---|
| SMILES | C[C@H]1C(=O)CCC2[C@@]1(CCC3[C@]2(CCC4([C@@]3(CC[C@@]5([C@H]4CC(C(=O)C5)(C)C)C)C)CO)C)C |
| InChIKey | ZHJWYVRDMOUNPD-VMLBPCRSSA-N |
Product Overview
Kokoononol (CAS 72183-90-5), with molecular formula C30H48O3 and molecular weight 456.36035 g/mol. IUPAC: (4R,4aS,6bR,8aS,12aR,14aS)-6a-(hydroxymethyl)-4,4a,6b,8a,11,11,14a-heptamethyl-1,2,4,5,6,6a,7,8,9,12,12a,13,14,14b-tetradecahydropicene-3,10-dione.
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