Olean-12-ene-23,28-dioic acid, 2,3,16-trihydroxy-, (2beta,3beta,4alpha,16alpha)-
(2S,3R,4S,6aR,6bS,8R,8aR,12aR,14aR,14bR)-2,3,8-trihydroxy-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4,8a-dicarboxylic acid
Also Known As: 23,25-Dihydroxy-24-oxovitamin D3|2,3,16-Trihydroxyolean-12-ene-23,28-dioato|Olean-12-ene-23,28-dioic acid, 2,3,16-trihydroxy-, (2beta,3beta,4alpha,16alpha)-|(5xi)-2beta,3beta,16alpha-Trihydroxy-18alpha-olean-12-ene-23,28-dioic acid|(2S,3R,4S,6aR,6bS,8R,8aR,12aR,14aR,14bR)-2,3,8-trihydroxy-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4,8a-dicarboxylic acid
| Molecular Formula | C30H46O7 |
|---|---|
| Molecular Weight | 518.32434 g/mol |
| LogP | 5.2 |
| Topological Polar Surface Area | 135.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 518.32434 |
| Monoisotopic Mass | 518.32434 |
| Heavy Atoms | 37 |
| Complexity | 1050.0 |
Chemical Identifiers
| CAS Number | 84161-89-7 |
|---|---|
| SMILES | C[C@@]12CCC3[C@@]([C@H]1CC=C4[C@]2(C[C@H]([C@@]5([C@@H]4CC(CC5)(C)C)C(=O)O)O)C)(C[C@@H]([C@@H]([C@@]3(C)C(=O)O)O)O)C |
| InChIKey | PLERLWUIYWAWRU-FRACTRCBSA-N |
Product Overview
Olean-12-ene-23,28-dioic acid, 2,3,16-trihydroxy-, (2beta,3beta,4alpha,16alpha)- (CAS 84161-89-7), with molecular formula C30H46O7 and molecular weight 518.32434 g/mol. IUPAC: (2S,3R,4S,6aR,6bS,8R,8aR,12aR,14aR,14bR)-2,3,8-trihydroxy-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4,8a-dicarboxylic acid.
Olean-12-ene-23,28-dioic acid, 2,3,16-trihydroxy-, (2beta,3beta,4alpha,16alpha)- is a custom synthesis product. We offer services from milligram to kilogram scale.
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