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Substance Name: Methyl cholanate, (5beta)-
RN: 2204-14-0
UNII: 4JP0S5G9XV
InChIKey: YHTRVWPOAJKWBV-ZXKBGTPZSA-N

Molecular Formula

  • C25-H42-O2

Molecular Weight

  • 374.6048
 
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Names and Synonyms

Name of Substance

  • Methyl cholanate, (5beta)-

Synonyms

  • 5beta-Cholanic acid methyl ester
  • Cholan-24-oic acid, methyl ester, (5beta)-
  • Methyl 5beta-cholanate
  • Methyl cholanate, (5beta)-
  • Methyl-5beta-cholan-24-oate
  • Methyl-5beta-cholanoate
  • UNII-4JP0S5G9XV

Registry Numbers

CAS Registry Number

  • 2204-14-0

FDA UNII

  • 4JP0S5G9XV

System Generated Number

  • 0002204140

Structure Descriptors

InChI

1S/C25H42O2/c1-17(8-13-23(26)27-4)20-11-12-21-19-10-9-18-7-5-6-15-24(18,2)22(19)14-16-25(20,21)3/h17-22H,5-16H2,1-4H3/t17-,18+,19+,20-,21+,22+,24+,25-/m1/s1

InChIKey

YHTRVWPOAJKWBV-ZXKBGTPZSA-N

Smiles

C[C@H](CCC(=O)OC)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@H]4[C@@]3(CCCC4)C)C