5beta-Cholan-24-oic acid, 3alpha-hydroxy-12-oxo-, methyl ester, acetate (R)-4-((3R,5R,8R,9S,10S,13R,14S,17R)-3-乙酰氧基-10,13-二甲基-12-氧代十六氢-1H-环戊二烯并[a]菲-17-基)戊酸乙酯

CAS 5143-55-5 MFCD00079056

化学结构图

5143-55-5
SMILES: COC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](OC(C)=O)CC[C@]4(C)[C@H]3CC(=O)[C@@]21C

化学属性

Mol. FormulaC27H42O5
Mol. Weight446.62

别名和识别编码

Chemical Name5beta-Cholan-24-oic acid, 3alpha-hydroxy-12-oxo-, methyl ester, acetate
PubChem Substance ID21632880
InChIInChI=1S/C27H42O5/c1-16(6-11-25(30)31-5)21-9-10-22-20-8-7-18-14-19(32-17(2)28)12-13-26(18,3)23(20)15-24(29)27(21,22)4/h16,18-23H,6-15H2,1-5H3/t16-,18-,19-,20+,21-,22+,23+,26+,27-/m1/s1
CAS Number5143-55-5
Synonym (R)-Methyl 4-((3R,5R,8R,9S,10S,13R,14S,17R)-3-acetoxy-10,13-dimethyl-12-oxohexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoate
Chemical Name Translation(R)-4-((3R,5R,8R,9S,10S,13R,14S,17R)-3-乙酰氧基-10,13-二甲基-12-氧代十六氢-1H-环戊二烯并[a]菲-17-基)戊酸乙酯
Canonical SMILES[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC[C@@H]([C@]34C)[C@H](C)CCC(OC)=O)C[C@H](OC(C)=O)CC[C@]1(C)[C@@]2([H])CC4=O
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