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Substance Name: Methyl cholanate, (5alpha)-
RN: 1172-09-4
UNII: G4KJU4LLB2
InChIKey: YHTRVWPOAJKWBV-HXNVYPELSA-N

Molecular Formula

  • C25-H42-O2

Molecular Weight

  • 374.6048
 
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Names and Synonyms

Name of Substance

  • Methyl cholanate, (5alpha)-

Synonyms

  • 5alpha-Cholanic acid, methyl ester
  • Cholan-24-oic acid, methyl ester, (5alpha)-
  • Methyl 5alpha-cholanoate
  • Methyl cholanate, (5alpha)-
  • UNII-G4KJU4LLB2

Registry Numbers

CAS Registry Number

  • 1172-09-4

FDA UNII

  • G4KJU4LLB2

System Generated Number

  • 0001172094

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-HXNVYPELSA-N

Smiles

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