Products 21490-21-1
CAS 21490-21-1 is the registry number for Ajugasterone B. Offered by: MedChemExpress. Available pack sizes: Get quote.
(2S,3R,5R,9R,10R,13R,14S,17S)-17-[(2R,3R,5R)-5-ethyl-2,3-dihydroxy-6-(hydroxymethyl)hept-6-en-2-yl]-2,3,14-trihydroxy-10,13-dimethyl-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one (CAS 21490-21-1) is a chemical compound with the molecular formula C29H46O7 and a molecular weight of 506.7 g/mol. IUPAC name: (2S,3R,5R,9R,10R,13R,14S,17S)-17-[(2R,3R,5R)-5-ethyl-2,3-dihydroxy-6-(hydroxymethyl)hept-6-en-2-yl]-2,3,14-trihydroxy-10,13-dimethyl-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one. InChIKey: ODENAQIZHMFEAO-BQBPTSSQSA-N.
| Molecular formula | C29H46O7 |
|---|---|
| Molecular weight | 506.7 g/mol |
| IUPAC name | (2S,3R,5R,9R,10R,13R,14S,17S)-17-[(2R,3R,5R)-5-ethyl-2,3-dihydroxy-6-(hydroxymethyl)hept-6-en-2-yl]-2,3,14-trihydroxy-10,13-dimethyl-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one |
| InChIKey | ODENAQIZHMFEAO-BQBPTSSQSA-N |
| SMILES | CC[C@H](C[C@H]([C@@](C)([C@H]1CC[C@@]2([C@@]1(CC[C@H]3C2=CC(=O)[C@H]4[C@@]3(C[C@@H]([C@@H](C4)O)O)C)C)O)O)O)C(=C)CO |
Computed by PubChem (NCBI)