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Substance Name: 3,7-Dihydroxy-7-ethylcholanoic acid
RN: 124729-57-3
InChIKey: MQLOTQXSYYOCHY-AAIBRUKDSA-N

Molecular Formula

  • C26-H44-O4

Molecular Weight

  • 420.6296
 
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Names and Synonyms

Name of Substance

  • 3,7-Dihydroxy-7-ethylcholanoic acid

Synonyms

  • 7-Etcdc
  • 7-Ethyl-chenodeoxycholic acid
  • 7-Ethyl-ursodeoxycholic acid
  • 7-Etudc

Systematic Name

  • Cholan-24-oic acid, 7-ethyl-3,7-dihydroxy-, (3alpha,5beta,7alpha)-

Registry Numbers

CAS Registry Number

  • 124729-57-3

System Generated Number

  • 0124729573

Structure Descriptors

InChI

1S/C26H44O4/c1-5-26(30)15-17-14-18(27)10-12-24(17,3)21-11-13-25(4)19(7-8-20(25)23(21)26)16(2)6-9-22(28)29/h16-21,23,27,30H,5-15H2,1-4H3,(H,28,29)/t16-,17+,18-,19+,20+,21+,23+,24+,25-,26-/m1/s1

InChIKey

MQLOTQXSYYOCHY-AAIBRUKDSA-N

Smiles

CC[C@]1(C[C@@H]2C[C@@H](CC[C@@]2([C@@H]3[C@@H]1[C@@H]4CC[C@H]([C@]4(CC3)C)[C@H](C)CCC(=O)O)C)O)O