Isoursodeoxycholic acid

CAS Registry Number®

78919-26-3

CAS Name

Isoursodeoxycholic acid

Molecular Formula

C24H40O4

Molecular Mass

392.57

Cite this Page

Isoursodeoxycholic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=78919-26-3 (retrieved 2024-11-22) (CAS RN: 78919-26-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C24H40O4/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/h14-20,22,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15+,16+,17-,18+,19+,20+,22+,23+,24-/m1/s1

InChIKey

InChIKey=RUDATBOHQWOJDD-DNMBCGTGSA-N

SMILES

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

Canonical SMILES

O=C(O)CCC(C)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CCC12C

Other Names for this Substance

  • Cholan-24-oic acid, 3,7-dihydroxy-, (3β,5β,7β)-
  • (3β,5β,7β)-3,7-Dihydroxycholan-24-oic acid
  • 3β,7β-Dihydroxy-5β-cholanoic acid
  • 3β-Ursodeoxycholic acid
  • Isoursodeoxycholic acid

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Deleted or Replaced CAS Registry Numbers

121571-05-9

CAS INSIGHTSTM
Targeted protein degrader structure, illustration