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Substance Name: Ethyl cholate
RN: 47676-48-2
UNII: 1AB03YEQ1S
InChIKey: FPDXMWHJGOCDQJ-HZAMXZRMSA-N

Molecular Formula

  • C26-H44-O5

Molecular Weight

  • 436.6286
 
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Names and Synonyms

Name of Substance

  • Ethyl cholate

Synonyms

  • EINECS 256-328-1
  • UNII-1AB03YEQ1S

Systematic Name

  • Ethyl 3alpha,7alpha,12alpha-trihydroxy-5beta-cholan-24-oate

Registry Numbers

CAS Registry Number

  • 47676-48-2

FDA UNII

  • 1AB03YEQ1S

System Generated Number

  • 0047676482

Structure Descriptors

InChI

1S/C26H44O5/c1-5-31-23(30)9-6-15(2)18-7-8-19-24-20(14-22(29)26(18,19)4)25(3)11-10-17(27)12-16(25)13-21(24)28/h15-22,24,27-29H,5-14H2,1-4H3/t15-,16+,17-,18-,19+,20+,21-,22+,24+,25+,26-/m1/s1

InChIKey

FPDXMWHJGOCDQJ-HZAMXZRMSA-N

Smiles

CCOC(=O)CC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C