3-Hydroxyurs-12-en-27-oic acid
(1S,2R,4aR,6aR,6aR,6bR,10S,12aR,14bS)-10-hydroxy-1,2,4a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-6a-carboxylic acid
Also Known As: alpha-peltoboykinolic acid|3-hydroxyurs-12-en-27-oic acid|3beta-hydroxyurs-12-en-27-oic acid|(5xi)-3beta-Hydroxy-18alpha-urs-12-en-27-oic acid|(1S,2R,4aR,6aR,6aR,6bR,10S,12aR,14bS)-10-hydroxy-1,2,4a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-6a-carboxylic acid
| Molecular Formula | C30H48O3 |
|---|---|
| Molecular Weight | 456.36035 g/mol |
| LogP | 7.5 |
| Topological Polar Surface Area | 57.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 456.36035 |
| Monoisotopic Mass | 456.36035 |
| Heavy Atoms | 33 |
| Complexity | 874.0 |
Chemical Identifiers
| CAS Number | 24778-49-2 |
|---|---|
| SMILES | C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CCC5[C@@]4(CC[C@@H](C5(C)C)O)C)C)[C@H]2[C@H]1C)C(=O)O)C |
| InChIKey | RXVRYAUOTRSYDU-RKQWDYETSA-N |
Product Overview
3-Hydroxyurs-12-en-27-oic acid (CAS 24778-49-2), with molecular formula C30H48O3 and molecular weight 456.36035 g/mol. IUPAC: (1S,2R,4aR,6aR,6aR,6bR,10S,12aR,14bS)-10-hydroxy-1,2,4a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-6a-carboxylic acid.
3-Hydroxyurs-12-en-27-oic acid is a custom synthesis product. We offer services from milligram to kilogram scale.
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