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Substance Name: Ethyl cholanate
RN: 103064-91-1
UNII: L040V9FLXQ
InChIKey: OVZXSGDUHWBYCD-RQVYNNQOSA-N

Molecular Formula

  • C26-H44-O2

Molecular Weight

  • 388.6316
 
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Names and Synonyms

Name of Substance

  • Ethyl cholanate

Synonyms

  • Cholan-24-oic acid, ethyl ester
  • Cholanic acid ethyl ester
  • Cholanic acid ethyl ester [MI]
  • Ethyl cholanate
  • UNII-L040V9FLXQ

Registry Numbers

CAS Registry Number

  • 103064-91-1

FDA UNII

  • L040V9FLXQ

System Generated Number

  • 0103064911

Structure Descriptors

InChI

1S/C26H44O2/c1-5-28-24(27)14-9-18(2)21-12-13-22-20-11-10-19-8-6-7-16-25(19,3)23(20)15-17-26(21,22)4/h18-23H,5-17H2,1-4H3/t18-,19?,20+,21-,22+,23+,25+,26-/m1/s1

InChIKey

OVZXSGDUHWBYCD-RQVYNNQOSA-N

Smiles

CCOC(=O)CC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4[C@@]3(CCCC4)C)C