Products 1777780-95-6
CAS 1777780-95-6 is the registry number for 4,27-Dimethyl withaferin A. Offered by: MedChemExpress. Available pack sizes: Get quote.
(1S,2R,6S,7S,9R,11S,12S,15R,16S)-6-methoxy-15-[(1S)-1-[(2R)-5-(methoxymethyl)-4-methyl-6-oxo-2,3-dihydropyran-2-yl]ethyl]-2,16-dimethyl-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadec-4-en-3-one (CAS 1777780-95-6) is a chemical compound with the molecular formula C30H42O6 and a molecular weight of 498.6 g/mol. IUPAC name: (1S,2R,6S,7S,9R,11S,12S,15R,16S)-6-methoxy-15-[(1S)-1-[(2R)-5-(methoxymethyl)-4-methyl-6-oxo-2,3-dihydropyran-2-yl]ethyl]-2,16-dimethyl-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadec-4-en-3-one. InChIKey: MPAUUPAQELMJHR-NXRLXNGGSA-N.
| Molecular formula | C30H42O6 |
|---|---|
| Molecular weight | 498.6 g/mol |
| IUPAC name | (1S,2R,6S,7S,9R,11S,12S,15R,16S)-6-methoxy-15-[(1S)-1-[(2R)-5-(methoxymethyl)-4-methyl-6-oxo-2,3-dihydropyran-2-yl]ethyl]-2,16-dimethyl-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadec-4-en-3-one |
| InChIKey | MPAUUPAQELMJHR-NXRLXNGGSA-N |
| SMILES | CC1=C(C(=O)O[C@H](C1)[C@@H](C)[C@H]2CC[C@@H]3[C@@]2(CC[C@H]4[C@H]3C[C@@H]5[C@]6([C@@]4(C(=O)C=C[C@@H]6OC)C)O5)C)COC |
Computed by PubChem (NCBI)
Synonyms:
4,27-Dimethyl withaferin A, orb1941439