Cholan-24-oic acid, 3-(acetyloxy)-7,12-dioxo-, methyl ester, (3alpha,5beta)- 甲基 (R)-4-((3R,5S,8R,9S,10S,13R,14S,17R)-3-乙酰氧基-10,13-二甲基-7,12-二氧代十六氢-1H-环戊[a]菲-17-基)戊酸酯 (胆酸杂质)

CAS 7753-73-3 MFCD07753733

化学结构图

7753-73-3
SMILES: COC(=O)CCC(C)C1CCC2C3C(=O)CC4CC(OC(C)=O)CCC4(C)C3CC(=O)C12C

化学属性

Mol. FormulaC27H40O6
Mol. Weight460.60

别名和识别编码

Chemical NameCholan-24-oic acid, 3-(acetyloxy)-7,12-dioxo-, methyl ester, (3alpha,5beta)-
Chemicalbook IDCB92167195
PubChem Substance ID11190400
InChIInChI=1S/C27H40O6/c1-15(6-9-24(31)32-5)19-7-8-20-25-21(14-23(30)27(19,20)4)26(3)11-10-18(33-16(2)28)12-17(26)13-22(25)29/h15,17-21,25H,6-14H2,1-5H3/t15-,17+,18-,19-,20+,21+,25+,26+,27-/m1/s1
CAS Number7753-73-3
Synonym Methyl (R)-4-((3R,5S,8R,9S,10S,13R,14S,17R)-3-acetoxy-10,13-dimethyl-7,12-dioxohexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoate (Cholic acid Impurity) {LY} Methyl (R)-4-((3R,5S,8R,9S,10S,13R,14S,17R)-3-acetoxy-10,13-dimethyl-7,12-dioxohexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoate (Cholic acid Impurity) {} {LY} Methyl (R)-4-((3R,5S,8R,9S,10S,13R,14S,17R)-3-acetoxy-10,13-dimethyl-7,12-dioxohexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoate (Cholic acid Impurity) {} {} {LY} Methyl (R)-4-((3R,5S,8R,9S,10S,13R,14S,17R)-3-acetoxy-10,13-dimethyl-7,12-dioxohexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoate (Cholic acid Impurity) {} {} {} {LY} Methyl (R)-4-((3R,5S,8R,9S,10S,13R,14S,17R)-3-acetoxy-10,13-dimethyl-7,12-dioxohexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoate (Cholic acid Impurity) {} {} {} {} {LY} Methyl (R)-4-((3R,5S,8R,9S,10S,13R,14S,17R)-3-acetoxy-10,13-dimethyl-7,12-dioxohexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)p
Chemical Name Translation 甲基 (R)-4-((3R,5S,8R,9S,10S,13R,14S,17R)-3-乙酰氧基-10,13-二甲基-7,12-二氧代十六氢-1H-环戊[a]菲-17-基)戊酸酯 (胆酸杂质)
Canonical SMILESC[C@@]12[C@@](CC([C@]([C@@]3([H])[C@@]4(C)[C@]([C@H](C)CCC(OC)=O)([H])CC3)([H])[C@]2([H])CC4=O)=O)([H])C[C@H](OC(C)=O)CC1
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Storage condition

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