NCS
China New Chemical Substance Search
Hyodeoxycholic acid methyl ester
3|A,6|A-Dihydroxy-5|A-cholan-24-oic acid methyl ester, 3alpha,6alpha-Dihydroxy-5beta-cholan-24-oic acid methyl ester, MFCD00059509, Hyodeoxycholic acid methyl ester, methyl hyodeoxycholanoate
CAS Number: 2868-48-6
IUPAC name: methyl (4R)-4-[(3R,5R,6S,8S,9S,10R,13R,14S,17R)-3,6-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate
Molecular formula: C25H42O4
Molecular weight: 406.59900
InChI: InChI=1S/C25H42O4/c1-15(5-8-23(28)29-4)18-6-7-19-17-14-22(27)21-13-16(26)9-11-25(21,3)20(17)10-12-24(18,19)2/h15-22,26-27H,5-14H2,1-4H3/t15-,16-,17+,18-,19+,20+,21+,22+,24-,25-/m1/s1
InChIKey: BWDRDVHYVJQWBO-QWXHOCAMSA-N
SMILES: -
EINECS: C[C@H](CCC(=O)OC)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C[C@@H]([C@H]4[C@@]3(CC[C@H](C4)O)C)O)C
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