CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@H]([C@H](C)CCC(=O)Cl)[C@@]4(C)CC[C@@H]32)C1

CAS: 51658-29-8

Nombre: 3β-acetoxy-5-cholenic acid chloride

IUPAC: [(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

SMILES: CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@H]([C@H](C)CCC(=O)Cl)[C@@]4(C)CC[C@@H]32)C1

Canonical SMILES: CC(CCC(=O)Cl)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC(=O)C)C)C

Fórmula molecular: C26H39ClO3

Masa molecular: 435.00

InChIKey: QIBNDKKFQYRWDS-WBNKZLQISA-N

InChI:

InChI=1S/C26H39ClO3/c1-16(5-10-24(27)29)21-8-9-22-20-7-6-18-15-19(30-17(2)28)11-13-25(18,3)23(20)12-14-26(21,22)4/h6,16,19-23H,5,7-15H2,1-4H3/t16-,19+,20+,21-,22+,23+,25+,26-/m1/s1

PubChem CID: 12953337 →

Sinónimos

3?-Acetoxy-?5-cholenyl Chloride51658-29-8SCHEMBL7801725QIBNDKKFQYRWDS-WBNKZLQISA-N3beta-acetoxy-5-cholenic acid chloride

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