3beta-Acetoxy-delta5-cholenyl Chloride

cas: 51658-29-8 — see every product listed under this CAS number, including other names

3beta-Acetoxy-delta5-cholenyl Chloride (CAS 51658-29-8) is a chemical reagent available from Chemat. Available pack sizes: 250mg. Offered by: TRC.

brandTRC
catalog numberTRC-A187423-250MG
cas51658-29-8
size250mg
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Structural formula: {0} (CAS {1})

[(3S,8S,9S,10R,13R,14S,17R)-17-[(2R)-5-chloro-5-oxopentan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate (CAS 51658-29-8) is a chemical compound with the molecular formula C26H39ClO3 and a molecular weight of 435.0 g/mol. IUPAC name: [(3S,8S,9S,10R,13R,14S,17R)-17-[(2R)-5-chloro-5-oxopentan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate. InChIKey: QIBNDKKFQYRWDS-WBNKZLQISA-N.

Identity
Molecular formulaC26H39ClO3
Molecular weight435.0 g/mol
IUPAC name[(3S,8S,9S,10R,13R,14S,17R)-17-[(2R)-5-chloro-5-oxopentan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
InChIKeyQIBNDKKFQYRWDS-WBNKZLQISA-N
SMILESC[C@H](CCC(=O)Cl)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)OC(=O)C)C)C

Computed by PubChem (NCBI)

Synonyms: 3?-Acetoxy-?5-cholenyl Chloride, QIBNDKKFQYRWDS-WBNKZLQISA-N, 3beta-acetoxy-5-cholenic acid chloride
Isomers (same molecular formula)
[(8R,9S,10R,13S,14S,17S)-4-chloro-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] heptanoate C26H39ClO3