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Substance Name: Ethyl cholanate, (5beta)-
RN: 5795-90-4
UNII: 4ZQK79QG54
InChIKey: OVZXSGDUHWBYCD-WRPYGWGESA-N

Molecular Formula

  • C26-H44-O2

Molecular Weight

  • 388.6316
 
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Names and Synonyms

Name of Substance

  • Ethyl cholanate, (5beta)-

Synonyms

  • 5beta-Cholanic acid, ethyl ester
  • Cholan-24-oic acid, ethyl ester, (5beta)-
  • Ethyl 5beta-cholanate
  • Ethyl cholanate, (5beta)-
  • NSC-60786
  • UNII-4ZQK79QG54

Registry Numbers

CAS Registry Number

  • 5795-90-4

FDA UNII

  • 4ZQK79QG54

System Generated Number

  • 0005795904

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-WRPYGWGESA-N

Smiles

CCOC(=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