4-Methyl withaferin A

cas: 1777780-94-5 — see every product listed under this CAS number, including other names

4-Methyl withaferin A (CAS 1777780-94-5) is a chemical reagent available from Chemat. Available pack sizes: Get quote. Offered by: MedChemExpress.

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cas1777780-94-5
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Structural formula: {0} (CAS {1})

(1S,2R,6S,7S,9R,11S,12S,15R,16S)-15-[(1S)-1-[(2R)-5-(hydroxymethyl)-4-methyl-6-oxo-2,3-dihydropyran-2-yl]ethyl]-6-methoxy-2,16-dimethyl-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadec-4-en-3-one (CAS 1777780-94-5) is a chemical compound with the molecular formula C29H40O6 and a molecular weight of 484.6 g/mol. IUPAC name: (1S,2R,6S,7S,9R,11S,12S,15R,16S)-15-[(1S)-1-[(2R)-5-(hydroxymethyl)-4-methyl-6-oxo-2,3-dihydropyran-2-yl]ethyl]-6-methoxy-2,16-dimethyl-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadec-4-en-3-one. InChIKey: QUHUEBBKVLBNDN-OBCSTTLTSA-N.

Identity
Molecular formulaC29H40O6
Molecular weight484.6 g/mol
IUPAC name(1S,2R,6S,7S,9R,11S,12S,15R,16S)-15-[(1S)-1-[(2R)-5-(hydroxymethyl)-4-methyl-6-oxo-2,3-dihydropyran-2-yl]ethyl]-6-methoxy-2,16-dimethyl-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadec-4-en-3-one
InChIKeyQUHUEBBKVLBNDN-OBCSTTLTSA-N
SMILESCC1=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)CO

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