产品名称

英文名称：Methyl cholate

同义词

Methyl cholate、1448-36-8、CHOLIC ACID METHYL ESTER、Cholic acid, methyl ester、E1P59HQX4Q、Cholan-24-oic acid, 3,7,12-trihydroxy-, methyl ester, (3alpha,5beta,7alpha,12alpha)-、methyl (4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethy

产品性质

CAS编号：1448-36-8

分子式：C25H42O5

分子量：422.61

MDL号：MFCD00064934

PubChem编号：10960835

英文别名：Methyl cholate|1448-36-8|CHOLIC ACID METHYL ESTER|Cholic acid, methyl ester|E1P59HQX4Q|Cholan-24-oic acid, 3,7,12-trihydroxy-, methyl ester, (3alpha,5beta,7alpha,12alpha)-|methyl (4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethy

规格或纯度：97%

英文名称：Methyl cholate

运输条件：常规运输

IUPAC Name：methyl (4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-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

INCHI：InChI=1S/C25H42O5/c1-14(5-8-22(29)30-4)17-6-7-18-23-19(13-21(28)25(17,18)3)24(2)10-9-16(26)11-15(24)12-20(23)27/h14-21,23,26-28H,5-13H2,1-4H3/t14-,15+,16-,17-,18+,19+,20-,21+,23+,24+,25-/m1/s1

InChi Key：DLYVTEULDNMQAR-SRNOMOOLSA-N

Canonical SMILES：CC(CCC(=O)OC)C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)O)C)O)O)C

Isomeric SMILES：C[C@H](CCC(=O)OC)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C

PubChem CID：10960835

溶解性：Soluble in warm methanol (1/20-clear), DMSO, and chloroform. Insoluble in water; Soluble in medium polarity organic solvents;Solubility in hot Methanol very faint turbidity

密度：1.141

比旋光度：+32.0 to +37.0 deg(C=2, EtOH)

熔点：153-157°C

象形图：

信号词：Warning

危险声明：H315 Causes skin irritationH319 Causes serious eye irritationH302 Harmful if swallowed

预防措施声明：P305+P351+P338,P280,P302+P352,P321,P501,P264,P270,P362+P364,P330,P264+P265,P301+P317,P337+P317,P332+P317

Merck Index：2203

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