NCS
中国新化学物质查询
5-Alpha-孕烷-3-beta, 17,20-alpha-三醇((20R)-5alpha-pregnane-3beta,17,20-triol)
CAS号: 520-86-5
IUPAC名称: (3S,5S,8R,9S,10S,13S,14S,17R)-17-[(1R)-1-hydroxyethyl]-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthrene-3,17-diol
分子式: C21H36O3
分子量: 336.50900
InChI: InChI=1S/C21H36O3/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/h13-18,22-24H,4-12H2,1-3H3/t13-,14+,15+,16-,17+,18+,19+,20+,21+/m1/s1
InChIKey: SCPADBBISMMJAW-IPNMKUGPSA-N
SMILES: C[C@H]([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)O
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