Lithocholic acid

CAS Registry Number®

434-13-9

CAS Name

Lithocholic acid

Molecular Formula

C24H40O3

Molecular Mass

376.57

Cite this Page

Lithocholic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=434-13-9 (retrieved 2024-11-24) (CAS RN: 434-13-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    184-186 °C

Source(s)

  • (1) Hazardous Substances Data Bank data were obtained from the National Library of Medicine (US)

Other Names and Identifiers

InChI

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

InChIKey=SMEROWZSTRWXGI-HVATVPOCSA-N

SMILES

C[C@@]12[C@]([C@]3([C@@]([C@]4(C)[C@](CC3)(C[C@H](O)CC4)[H])(CC1)[H])[H])(CC[C@@]2([C@@H](CCC(O)=O)C)[H])[H]

Canonical SMILES

O=C(O)CCC(C)C1CCC2C3CCC4CC(O)CCC4(C)C3CCC12C

Other Names for this Substance

  • Cholan-24-oic acid, 3-hydroxy-, (3α,5β)-
  • 5β-Cholan-24-oic acid, 3α-hydroxy-
  • 5β-Cholanic acid, 3α-hydroxy-
  • (3α,5β)-3-Hydroxycholan-24-oic acid
  • 3α-Hydroxycholanic acid

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Deleted or Replaced CAS Registry Numbers

2360921-71-5, 2892315-65-8

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