7α-Hydroxy-3-oxo-4-cholen-24-oic acid

CAS Registry Number®

14772-95-3
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CAS Name

7α-Hydroxy-3-oxo-4-cholen-24-oic acid

Molecular Formula

C24H36O4

Molecular Mass

388.54

Cite this Page

7α-Hydroxy-3-oxo-4-cholen-24-oic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=14772-95-3 (retrieved 2024-06-29) (CAS RN: 14772-95-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    231-233 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C24H36O4/c1-14(4-7-21(27)28)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)26/h12,14,17-20,22,26H,4-11,13H2,1-3H3,(H,27,28)/t14-,17-,18+,19+,20-,22+,23+,24-/m1/s1

InChIKey

InChIKey=CFLVYJJIZHNITM-NLXMLWGDSA-N

SMILES

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

Canonical SMILES

O=C(O)CCC(C)C1CCC2C3C(O)CC4=CC(=O)CCC4(C)C3CCC12C

Other Names for this Substance

  • Chol-4-en-24-oic acid, 7-hydroxy-3-oxo-, (7α)-
  • Chol-4-en-24-oic acid, 7α-hydroxy-3-oxo-
  • Chol-4-enic acid, 7α-hydroxy-3-oxo-
  • (7α)-7-Hydroxy-3-oxochol-4-en-24-oic acid
  • 7α-Hydroxy-3-oxochol-4-enoic acid

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