Apocholic acid

CAS Registry Number®

641-81-6
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CAS Name

Apocholic acid

Molecular Formula

C24H38O4

Molecular Mass

390.56

Cite this Page

Apocholic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=641-81-6 (retrieved 2024-04-19) (CAS RN: 641-81-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    173-174 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C24H38O4/c1-14(4-9-22(27)28)18-7-8-19-17-6-5-15-12-16(25)10-11-23(15,2)20(17)13-21(26)24(18,19)3/h14-16,18,20-21,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15-,16-,18-,20+,21+,23+,24-/m1/s1

InChIKey

InChIKey=XWJTYEGVQBFZHI-IMPNNSMHSA-N

SMILES

C[C@@]12C(=C3[C@@]([C@]4(C)[C@](CC3)(C[C@H](O)CC4)[H])(C[C@@H]1O)[H])CC[C@@]2([C@@H](CCC(O)=O)C)[H]

Canonical SMILES

O=C(O)CCC(C)C1CCC2=C3CCC4CC(O)CCC4(C)C3CC(O)C21C

Other Names for this Substance

  • Chol-8(14)-en-24-oic acid, 3,12-dihydroxy-, (3α,5β,12α)-
  • 5β-Chol-8(14)-en-24-oic acid, 3α,12α-dihydroxy-
  • 5β-Chol-8(14)-enic acid, 3α,12α-dihydroxy-
  • (3α,5β,12α)-3,12-Dihydroxychol-8(14)-en-24-oic acid
  • Apocholic acid

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Deleted or Replaced CAS Registry Numbers

1162195-87-0, 880259-04-1, 908579-15-7

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