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Substance Name: Methyl cholanate
RN: 25941-29-1
UNII: BD7TMA0Z7Q
InChIKey: YHTRVWPOAJKWBV-OAFMNPBWSA-N

Molecular Formula

  • C25-H42-O2

Molecular Weight

  • 374.6048
 
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Names and Synonyms

Name of Substance

  • Methyl cholanate

Synonyms

  • Cholan-24-oic acid, methyl ester
  • Cholanic acid methyl ester
  • Cholanic acid methyl ester [MI]
  • Methyl cholanate
  • UNII-BD7TMA0Z7Q

Registry Numbers

CAS Registry Number

  • 25941-29-1

FDA UNII

  • BD7TMA0Z7Q

System Generated Number

  • 0025941291

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-OAFMNPBWSA-N

Smiles

COC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4CCCC[C@]4(C)[C@H]3CC[C@]12C