(5β)-6-Oxocholan-24-oic acid

CAS Registry Number®

77015-37-3

CAS Name

(5β)-6-Oxocholan-24-oic acid

Molecular Formula

C24H38O3

Molecular Mass

374.56

Cite this Page

(5β)-6-Oxocholan-24-oic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=77015-37-3 (retrieved 2024-11-24) (CAS RN: 77015-37-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    138-140 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C24H38O3/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/h15-20H,4-14H2,1-3H3,(H,26,27)/t15-,16+,17-,18+,19+,20+,23-,24-/m1/s1

InChIKey

InChIKey=WIYCLWGXUJWTBW-UPVUKQMHSA-N

SMILES

C[C@@]12[C@]([C@]3([C@@]([C@]4(C)[C@](C(=O)C3)(CCCC4)[H])(CC1)[H])[H])(CC[C@@]2([C@@H](CCC(O)=O)C)[H])[H]

Canonical SMILES

O=C(O)CCC(C)C1CCC2C3CC(=O)C4CCCCC4(C)C3CCC12C

Other Names for this Substance

  • Cholan-24-oic acid, 6-oxo-, (5β)-
  • 5β-Cholanic acid, 6-oxo-
  • (5β)-6-Oxocholan-24-oic acid

CAS INSIGHTSTM
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