NCS
中国新化学物质查询
5-Alpha-妊娠-3-alpha-17-二醇-20-酮(5-ALPHA-PREGNAN-3-ALPHA, 17-DIOL-20-ONE)
Ethyl-5-isopropyl-o-cresol, 3-ethyl-5-isopropyl-2-methylphenol, EINECS 268-441-3, ar-Ethyl-2-methyl-5-(1-methylethyl)-phenol
CAS号: 6890-65-9
IUPAC名称: 1-[(3R,5S,8R,9S,10S,13S,14S,17R)-3,17-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-yl]ethanone
分子式: C21H34O3
分子量: 334.49300
InChI: InChI=1S/C21H34O3/c1-13(22)21(24)11-8-18-16-5-4-14-12-15(23)6-9-19(14,2)17(16)7-10-20(18,21)3/h14-18,23-24H,4-12H2,1-3H3/t14-,15+,16+,17-,18-,19-,20-,21-/m0/s1
InChIKey: LKQDFQLSEHWIRK-JRRMKBMNSA-N
SMILES: CC(=O)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(CC[C@H](C4)O)C)C)O
EINECS: -
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