Chenodeoxycholic Acid Methyl Ester | CAS No. 3057-04-3

Chenodeoxycholic Acid Methyl Ester

Basic Information

CAS Number

3057-04-3

Molecular Formula

C25H42O4

Molecular Weight

406.61 g/mol

AD

Basic Physical Properties

Boiling Point

507.6°Cat760mmHg

Density

1.089

Flash Point

162.1°C

Refractive Index

1.525

CC(CCC(=O)OC)C1CCC2C1(CCC3C2C(CC4C3(CCC(C4)O)C)O)C

InChI

InChI=1S/C25H42O4/c1-15(5-8-22(28)29-4)18-6-7-19-23-20(10-12-25(18,19)3)24(2)11-9-17(26)13-16(24)14-21(23)27/h15-21,23,26-27H,5-14H2,1-4H3/t15-,16?,17-,18-,19+,20+,21-,23+,24+,25-/m1/s1

InChIKey

GRQROVWZGGDYSW-OXEKOAFDSA-N

LogP

4.5663000000000045

Topological Polar Surface Area

66.76 Ų

Hydrogen Bond Donor/Acceptor

2 / 4

Complexity

620

Synonyms & References

English

  • Q27896698
  • AS-58359
  • UNII-48O35JP4YI
  • URSODEOXYCHOLIC ACID IMPURITY G [EP IMPURITY]
  • METHYLCHENODEOXYCHOLATE
  • AKOS025213431
  • 3alpha,7alpha-Dihydroxy-5beta-cholan-24-oic acid Methyl ester
  • Methyl 3.alpha.,7.alpha.-dihydroxy-5.beta.-cholan-24-oate
  • Methyl chenodoxycholate
  • Cholan-24-oic acid, 3,7-dihydroxy-, methyl ester, (3.alpha.,5.beta.,7.alpha.)-
  • Methyl chenodesoxycholate
  • Methyl chenodeoxycholate
  • Cholan-24-oic acid, 3,7-dihydroxy-, methyl ester, (3alpha,5beta,7alpha)-
  • Methyl 3,7-dihydroxycholan-24-oate, (3.alpha.,5.beta.,7.alpha.)-
  • 5.beta.-Cholan-24-oic acid, 3.alpha.,7.alpha.-dihydroxy-, methyl ester
  • Chenodeoxycholic acid methyl ester
  • 48O35JP4YI
  • METHYL CHENODEOXYCHOLATE, (+)-
  • methyl (4R)-4-[(3R,5S,7R,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-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
  • Methyl 3alpha,7alpha-dihydroxy-5beta-cholan-24-oate
  • 3057-04-3
  • CS-0020861
  • MFCD00232923
  • E83978
  • SCHEMBL593395
  • Methyl (4R)-4-[(1S,2S,5R,7S,9R,10R,11S,14R,15R)-5,9-dihydroxy-2,15-dimethyltetracyclo[8.7.0.02,1.011,1]heptadecan-14-yl]pentanoate
  • CHEMBL273086
  • Methyl 3.alpha.,7.alpha.-dihydroxy-5.beta.-cholanoate
  • J-650244
  • BDBM50375562
  • Methyl-3alpha,7alpha-dihydroxy-5beta-cholanoate

MDL Number

MFCD00232923

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