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Substance Name: Alloisolithocholic acid
RN: 2276-93-9
InChIKey: SMEROWZSTRWXGI-XBESLWPFSA-N

Molecular Formula

  • C24-H40-O3

Molecular Weight

  • 376.577
 
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Names and Synonyms

Results Name

  • Alloisolithocholic acid

Synonyms

  • 3beta-Hydroxy-5alpha-cholanic acid
  • Alloisolithocholic acid
  • NSC 18169

Systematic Name

  • Cholan-24-oic acid, 3-hydroxy-, (3beta,5alpha)-

Registry Numbers

CAS Registry Number

  • 2276-93-9

System Generated Number

  • 0002276939

Structure Descriptors

InChI

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

InChIKey

SMEROWZSTRWXGI-XBESLWPFSA-N

Smiles

C1[C@@]2([C@H](CC[C@H]2[C@@H]2CC[C@@H]3[C@@](CC[C@@H](C3)O)(C)[C@@H]2C1)[C@@H](CCC(=O)O)C)C