3,7,12,23-Tetrahydroxycholan-24-oic acid (2R, 4R)-2-羟基-4-((3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-三羟基-10,13-二甲基十六氢-1H-环戊并[a]菲-17-基)戊酸

CAS 6879-45-4 MFCD06879454

化学结构图

6879-45-4
SMILES: C[C@H](CC(O)C(=O)O)[C@H]1CC[C@H]2[C@@H]3C(O)CC4CC(O)CC[C@]4(C)[C@H]3CC(O)[C@@]21C

化学属性

Mol. FormulaC24H40O6
Mol. Weight424.57

别名和识别编码

Chemical Name3,7,12,23-Tetrahydroxycholan-24-oic acid
Chemicalbook IDCB01339796
InChIKeyUJYLRDMHTJWIQW-SWSYAYITSA-N
PubChem Substance ID193429
InChIInChI=1S/C24H40O6/c1-12(8-19(27)22(29)30)15-4-5-16-21-17(11-20(28)24(15,16)3)23(2)7-6-14(25)9-13(23)10-18(21)26/h12-21,25-28H,4-11H2,1-3H3,(H,29,30)/t12-,13+,14-,15-,16+,17+,18-,19-,20+,21+,23+,24-/m1/s1
Synonym (2R,4R)-2-Hydroxy-4-((3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid {LY} (2R,4R)-2-Hydroxy-4-((3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid 3,7,12,23-tetrahydroxycholan-24-oic acid 3alpha,7 alpha,12 alpha,23-tetrahydroxy-5 beta-cholan-24-oic acid {} {LY} (2R,4R)-2-Hydroxy-4-((3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid {} {} {PubChem} 3,7,12,23-TCOA
CAS Number6879-45-4
Chemical Name Translation (2R, 4R)-2-羟基-4-((3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-三羟基-10,13-二甲基十六氢-1H-环戊并[a]菲-17-基)戊酸
Canonical SMILESO[C@H]1[C@@]2([H])[C@@]3([H])[C@@]([C@@](CC3)([H])[C@H](C)C[C@@H](O)C(O)=O)([C@H](C[C@]2([H])[C@@]4([C@](C[C@@H](CC4)O)([H])C1)C)O)C
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安全信息

Storage condition

系列性分类

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