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Substance Name: 6-Hydroxycholanoic acid
RN: 77059-14-4
InChIKey: AOZMFMMOEOBOTA-JHFIDHCDSA-N

Molecular Formula

  • C24-H40-O3

Molecular Weight

  • 376.577
 
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Names and Synonyms

Name of Substance

  • 6-Hydroxycholanoic acid

Synonyms

  • 6-Hydroxy-5alpha-cholanoic acid
  • 6-Hydroxycholan-24-oic acid (5alpha,6alpha)-

Systematic Name

  • Cholan-24-oic acid, 6-hydroxy-, (5alpha,6alpha)-

Registry Numbers

CAS Registry Number

  • 77059-14-4

System Generated Number

  • 0077059144

Structure Descriptors

InChI

1S/C24H40O3/c1-15(7-10-22(26)27)17-8-9-18-16-14-21(25)20-6-4-5-12-23(20,2)19(16)11-13-24(17,18)3/h15-21,25H,4-14H2,1-3H3,(H,26,27)/t15-,16+,17-,18+,19+,20-,21+,23-,24-/m1/s1

InChIKey

AOZMFMMOEOBOTA-JHFIDHCDSA-N

Smiles

C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C[C@@H]([C@@H]4[C@@]3(CCCC4)C)O)C