Castasterone
(2R,3S,5S,8S,9S,10R,13S,14S,17R)-17-[(2S,3R,4R,5S)-3,4-dihydroxy-5,6-dimethylheptan-2-yl]-2,3-dihydroxy-10,13-dimethyl-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-one
Also Known As: Castasterone|24-Epicastasterone|BP 214|KST-1A8567|6-oxo-campestan-2alpha,3alpha,22R,23R-tetrol|castasterone, (2alpha,3alpha,5alpha,22R,23R)-|(2R,3S,5S,8S,9S,10R,13S,14S,17R)-17-[(2S,3R,4R,5S)-3,4-dihydroxy-5,6-dimethylheptan-2-yl]-2,3-dihydroxy-10,13-dimethyl-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-one|(2|A,3|A,5|A,22r,23r,24s)-2,3,22,23-tetrahydroxyergostan-6-one|9153A34D-DE1B-45AD-8CE2-D3A272C0695A|(2alpha,3alpha,5alpha,22R,23R,24S)-2,3,22,23-tetrahydroxyergostan-6-one|(2a,3a,5a,22R,23R,24S)-2,3,22,23-tetrahydroxyergostan-6-one|(22R,23R)-2alpha,3alpha,22,23-tetrahydroxy-5alpha-campestan-6-one|(22R,23R,24S)-2alpha,3alpha,22,23-Tetrahydroxy-5alpha-ergostan-6-one|(22R,23R,24S)-2alpha,3alpha,22,23-Tetrahydroxy-5alpha-ergostane-6-one|(22R,23R,24S)-2alpha,3alpha,22,23-Tetrahydroxy-24-methyl-5alpha-cholestan-6-one|Ergostan-6-one, 2,3,22,23-tetrahydroxy-, (2alpha,3alpha,5alpha,22R,23R,24S)-|Ergostan-6-one, 2,3,22,23-tetrahydroxy-, (2alpha,3alpha,5alpha,22R,23R,24S)- (9CI)|(1R,3aS,3bS,5aS,7S,8R,9aR,9bS,11aS)-1-[(2S,3R,4R,5S)-3,4-dihydroxy-5,6-dimethylheptan-2-yl]-7,8-dihydroxy-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-5-one|(2R,3S,5S,8S,9S,10R,13S,14S,17R)-17-((2S,3R,4R,5S)-3,4-dihydroxy-5,6-dimethylheptan-2-yl)-2,3-dihydroxy-10,13-dimethyl-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta(a)phenanthren-6-one
| Molecular Formula | C28H48O5 |
|---|---|
| Molecular Weight | 464.3502 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 98.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 464.3502 |
| Monoisotopic Mass | 464.3502 |
| Heavy Atoms | 33 |
| Complexity | 738.0 |
Chemical Identifiers
| CAS Number | 85232-93-5 |
|---|---|
| SMILES | C[C@@H]([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC(=O)[C@@H]4[C@@]3(C[C@H]([C@H](C4)O)O)C)C)[C@H]([C@@H]([C@@H](C)C(C)C)O)O |
| InChIKey | VYUIKSFYFRVQLF-YLNAYWRASA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Castasterone (CAS 85232-93-5), with molecular formula C28H48O5 and molecular weight 464.3502 g/mol. IUPAC: (2R,3S,5S,8S,9S,10R,13S,14S,17R)-17-[(2S,3R,4R,5S)-3,4-dihydroxy-5,6-dimethylheptan-2-yl]-2,3-dihydroxy-10,13-dimethyl-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-one.