[2-[(5S,8S,9S,10S,11R,13S,14S,16R,17R)-17-hydroxy-10,13,16-trimethyl-11-(4-methylphenyl)sulfonyloxy-3-oxo-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate

CAS 7645-58-1 MFCD N/A

化学结构图

7645-58-1
SMILES: CC(=O)OCC(=O)[C@@]1(O)[C@H](C)C[C@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3[C@H](OS(=O)(=O)c3ccc(C)cc3)C[C@@]21C

化学属性

Mol. FormulaC31H42O8S

别名和识别编码

Chemical Name11-alpha,17-alpha,21-Trihydroxy-16-alpha-methyl-5-alpha-pregnane-3,20-dione 21-acetate-11-(toluene-4-sulphonate)
Chemicalbook IDCB9893821
InChIKeyBAOPJFFGWAXPHH-ROZYOPKOSA-N
PubChem Substance ID111319
InChIInChI=1S/C31H42O8S/c1-18-6-9-23(10-7-18)40(36,37)39-26-16-30(5)25(14-19(2)31(30,35)27(34)17-38-20(3)32)24-11-8-21-15-22(33)12-13-29(21,4)28(24)26/h6-7,9-10,19,21,24-26,28,35H,8,11-17H2,1-5H3/t19-,21+,24+,25+,26-,28-,29+,30+,31+/m1/s1
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