(3α,5β)-3-Hydroxycholan-24-oic-2,2,4,4-d4 acid

CAS Registry Number®

83701-16-0

CAS Name

(3α,5β)-3-Hydroxycholan-24-oic-2,2,4,4-d4 acid

Molecular Formula

C24H36D4O3

Cite this Page

(3α,5β)-3-Hydroxycholan-24-oic-2,2,4,4-d4 acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=83701-16-0 (retrieved 2024-11-22) (CAS RN: 83701-16-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

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/i10D2,14D2

InChIKey

InChIKey=SMEROWZSTRWXGI-POXZWENPSA-N

SMILES

C[C@@]12[C@]([C@]3([C@@]([C@]4(C)[C@](CC3)(C([C@H](O)C(C4)([2H])[2H])([2H])[2H])[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-2,2,4,4-d4 acid, 3-hydroxy-, (3α,5β)-
  • (3α,5β)-3-Hydroxycholan-24-oic-2,2,4,4-d4 acid
  • Lithocholic acid-d4

CAS INSIGHTSTM
Targeted protein degrader structure, illustration