Products 52329-20-1

CAS 52329-20-1 appears in our catalog under these names: 6α–chloro–5β–hydroxywithaferin A, 6α-Chloro-5β-hydroxywithaferin A, 4β,5β,27-Trihydroxy-6α-chloro-1-oxo-22R-witha-2,24-dienolide, 6α-Chloro-5β-hydroxywithaferin A, 99.3%. Offered by: GLPBio, Biosynth, Chemat, MedChemExpress. Available pack sizes: 10mg, 1mg, 5mg, 25mg, 50mg, 1 mg, 5 mg.

Structural formula: {0} (CAS {1})

(2R)-2-[(1S)-1-[(4S,5R,6S,8S,9S,10R,13S,14S,17R)-6-chloro-4,5-dihydroxy-10,13-dimethyl-1-oxo-6,7,8,9,11,12,14,15,16,17-decahydro-4H-cyclopenta[a]phenanthren-17-yl]ethyl]-5-(hydroxymethyl)-4-methyl-2,3-dihydropyran-6-one (CAS 52329-20-1) is a chemical compound with the molecular formula C28H39ClO6 and a molecular weight of 507.1 g/mol. IUPAC name: (2R)-2-[(1S)-1-[(4S,5R,6S,8S,9S,10R,13S,14S,17R)-6-chloro-4,5-dihydroxy-10,13-dimethyl-1-oxo-6,7,8,9,11,12,14,15,16,17-decahydro-4H-cyclopenta[a]phenanthren-17-yl]ethyl]-5-(hydroxymethyl)-4-methyl-2,3-dihydropyran-6-one. InChIKey: YCFROFMCBMCGDC-PNJOURQRSA-N.

Identity
Molecular formulaC28H39ClO6
Molecular weight507.1 g/mol
IUPAC name(2R)-2-[(1S)-1-[(4S,5R,6S,8S,9S,10R,13S,14S,17R)-6-chloro-4,5-dihydroxy-10,13-dimethyl-1-oxo-6,7,8,9,11,12,14,15,16,17-decahydro-4H-cyclopenta[a]phenanthren-17-yl]ethyl]-5-(hydroxymethyl)-4-methyl-2,3-dihydropyran-6-one
InChIKeyYCFROFMCBMCGDC-PNJOURQRSA-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]([C@]5([C@@]4(C(=O)C=C[C@@H]5O)C)O)Cl)C)CO

Computed by PubChem (NCBI)