NCS
中国新化学物质查询
7-脱氢胆固醇乙酸酯(Cholesta-5,7-dien-3-ol,3-acetate, (3b)-)
7-dehydrocholesterol-3-acetate, 3-O-acetyl-7-dehydrocholesterol, Cholesta-5,acetate, 7-dehydrochloresterol acetate, 7,8-Didehydrocholesteryl-acetat
CAS号: 1059-86-5
IUPAC名称: [(3S,9S,10R,13R,14R,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
分子式: C29H46O2
分子量: 426.67400
InChI: InChI=1S/C29H46O2/c1-19(2)8-7-9-20(3)25-12-13-26-24-11-10-22-18-23(31-21(4)30)14-16-28(22,5)27(24)15-17-29(25,26)6/h10-11,19-20,23,25-27H,7-9,12-18H2,1-6H3/t20-,23+,25-,26+,27+,28+,29-/m1/s1
InChIKey: ACGNVBRAISEVDK-RPIQFHTISA-N
SMILES: C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3C2=CC=C4[C@@]3(CC[C@@H](C4)OC(=O)C)C)C
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