Olean-12-ene-3,16,28-triol
(3S,6aR,6bS,8R,8aS,12aR,14aR,14bR)-8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-3,8-diol
Also Known As: Primulagenin A|Olean-12-ene-3,16,28-triol|(5xi)-18alpha-Olean-12-ene-3beta,16alpha,28-triol|(3S,6aR,6bS,8R,8aS,12aR,14aR,14bR)-8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-3,8-diol
CAS: 465-95-2
| Molecular Formula | C30H50O3 |
|---|---|
| Molecular Weight | 458.376 g/mol |
| LogP | 6.1121 |
| Topological Polar Surface Area | 60.69 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 458.376 |
| Monoisotopic Mass | 458.376 |
| Heavy Atoms | 33 |
| Complexity | 843.4798 |
Chemical Identifiers
| CAS Number | 465-95-2 |
|---|---|
| SMILES | C[C@]12CC[C@@H](C(C1CC[C@@]3([C@@H]2CC=C4[C@]3(C[C@H]([C@@]5([C@@H]4CC(CC5)(C)C)CO)O)C)C)(C)C)O |
Product Overview
Olean-12-ene-3,16,28-triol (CAS 465-95-2), with molecular formula C30H50O3 and molecular weight 458.376 g/mol. IUPAC: (3S,6aR,6bS,8R,8aS,12aR,14aR,14bR)-8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-3,8-diol.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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