ST002790 Methyl cholate

MW: 422.61

CAS: 1448-36-8

MDL: MFCD00477541

TNP: TNP00413

5(BETA)-CHOLAMIC ACID-3ALPHA,7ALPHA,12ALPHA-TRIOL METHYL ESTER; 5-BETA-CHOLANIC ACID-3-ALPHA, 7-ALPHA, 12-ALPHA-TRIOL METHYL ESTER; METHYL 4-(3,7,12-TRIHYDROXY-10,13-DIMETHYLPERHYDROCYCLOPENTA[A]PHENANTHREN-17-YL)PENTANOATE; METHYL CHOLATE; CHOLIC ACID METHYL

LogP: 4.02

LogS: -4.79

Acceptors: 5

Donors: 3

Rotation Bonds: 5

Chiral Centers: 11

N+O: 5

LIPINSKY: 4

IUPAC: methyl 4-((16S,5R,9R)-5,9,16-trihydroxy-2,15-dimethyltetracyclo[8.7.0.0<2,7>.0 <11,15>]heptadec-14-yl)pentanoate

Smiles: C1C2C3(C(C[C@@H](CC3)O)C[C@H](C2C2C([C@H]1O)(C(CC2)C(CCC(=O)OC)C)C)O)C

Specification: Steroids; Steroids & Hormones - 13C & 2H CHOLIC ACID METHYL ESTER Chemical Properties:

mp 155-156C Merck 14,2203 BRN 2226989 CAS DataBase Reference1448-36-8(CAS DataBase Reference) Safety Information Hazard Codes Xi Safety Statements 22-24/25 CHOLIC ACID METHYL ESTER Usage And Synthesis Chemical Properties:

Off-White Solid CHOLIC ACID METHYL ESTER Preparation ProductsUrsodeoxycholic acid

Chemical Compounds - Natural Compounds