(3beta,16beta)-3,16-Dihydroxyolean-12-en-28-oic acid
(4aR,5S,6aR,6aS,6bR,8aR,10S,12aR,14bS)-5,10-dihydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
Also Known As: Cochalic acid|Cochalsaeure|16-Epiechinocystic acid|16-epi-Echinocystic acid|3beta,16beta-dihydroxyolean-12-en-28-oic acid|3beta,16beta-Dihydroxy-olean-12-en-28-oic acid|(3beta,16beta)-3,16-dihydroxyolean-12-en-28-oic acid|3 beta,16 beta-dihydroxy-olean-12-en-28-oic acid|(4aR,5S,6aR,6aS,6bR,8aR,10S,12aR,14bS)-5,10-dihydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid|(3I(2),16I(2))-3,16-Dihydroxyolean-12-en-28-oic acid|(4aR,5S,6aR,6aS,6bR,10S,12aR,14bR)-5,10-dihydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid|(4aR,5S,6aS,6bR,8aR,10S,12aR,12bR,14bS)-5,10-dihydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylic acid
| Molecular Formula | C30H48O4 |
|---|---|
| Molecular Weight | 472.35526 g/mol |
| LogP | 6.2044 |
| Topological Polar Surface Area | 77.76 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 472.35526 |
| Monoisotopic Mass | 472.35526 |
| Heavy Atoms | 34 |
| Complexity | 918.7661 |
Chemical Identifiers
| CAS Number | 545-88-0 |
|---|---|
| SMILES | C[C@]12CC[C@@H](C([C@@H]1CC[C@@]3([C@@H]2CC=C4[C@]3(C[C@@H]([C@@]5([C@H]4CC(CC5)(C)C)C(=O)O)O)C)C)(C)C)O |
Product Overview
(3beta,16beta)-3,16-Dihydroxyolean-12-en-28-oic acid (CAS 545-88-0), with molecular formula C30H48O4 and molecular weight 472.35526 g/mol. IUPAC: (4aR,5S,6aR,6aS,6bR,8aR,10S,12aR,14bS)-5,10-dihydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid.