5β-Cholanic acid

CAS Registry Number®

546-18-9

CAS Name

5β-Cholanic acid

Molecular Formula

C24H40O2

Molecular Mass

360.57

Cite this Page

5β-Cholanic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=546-18-9 (retrieved 2024-11-22) (CAS RN: 546-18-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    150 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C24H40O2/c1-16(7-12-22(25)26)19-10-11-20-18-9-8-17-6-4-5-14-23(17,2)21(18)13-15-24(19,20)3/h16-21H,4-15H2,1-3H3,(H,25,26)/t16-,17+,18+,19-,20+,21+,23+,24-/m1/s1

InChIKey

InChIKey=RPKLZQLYODPWTM-LVVAJZGHSA-N

SMILES

C[C@@]12[C@]([C@]3([C@](CC1)([C@]4(C)[C@](CC3)(CCCC4)[H])[H])[H])(CC[C@@]2([C@@H](CCC(O)=O)C)[H])[H]

Canonical SMILES

O=C(O)CCC(C)C1CCC2C3CCC4CCCCC4(C)C3CCC12C

Other Names for this Substance

  • Cholan-24-oic acid, (5β)-
  • 5β-Cholan-24-oic acid
  • 5β-Cholanic acid
  • (5β)-Cholan-24-oic acid
  • 5β-Cholanoic acid

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