Castasterone
(2R,3S,5S,8R,9R,10R,13S,14S,17R)-17-[(2S,3R,4R,5R)-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|(2R,3S,5S,8R,9R,10R,13S,14S,17R)-17-[(2S,3R,4R,5R)-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 | 72050-71-6 |
|---|---|
| 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-YCKUUJNFSA-N |
Product Overview
Castasterone (CAS 72050-71-6), with molecular formula C28H48O5 and molecular weight 464.3502 g/mol. IUPAC: (2R,3S,5S,8R,9R,10R,13S,14S,17R)-17-[(2S,3R,4R,5R)-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.
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