Cholan-24-oic acid, 3,7-dihydroxy-, methyl ester, (3α,5β,7β)-

CAS Registry Number®

10538-55-3

CAS Name

Cholan-24-oic acid, 3,7-dihydroxy-, methyl ester, (3α,5β,7β)-

Molecular Formula

C25H42O4

Molecular Mass

406.60

Cite this Page

Cholan-24-oic acid, 3,7-dihydroxy-, methyl ester, (3α,5β,7β)-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=2599839-22-0 (retrieved 2024-11-22) (CAS RN: 10538-55-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    58.4-58.6 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C25H42O4/c1-15(5-8-22(28)29-4)18-6-7-19-23-20(10-12-25(18,19)3)24(2)11-9-17(26)13-16(24)14-21(23)27/h15-21,23,26-27H,5-14H2,1-4H3/t15-,16+,17-,18-,19+,20+,21+,23+,24+,25-/m1/s1

InChIKey

InChIKey=GRQROVWZGGDYSW-ZQMFMVRBSA-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(OC)=O)C)[H])[H]

Canonical SMILES

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

Other Names for this Substance

  • Cholan-24-oic acid, 3,7-dihydroxy-, methyl ester, (3α,5β,7β)-
  • 5β-Cholan-24-oic acid, 3α,7β-dihydroxy-, methyl ester
  • 5β-Cholanic acid, 3α,7β-dihydroxy-, methyl ester
  • Methyl 3α,7β-dihydroxy-5β-cholanoate
  • Ursodeoxycholic acid methyl ester

View All

Deleted or Replaced CAS Registry Numbers

2599839-22-0

CAS INSIGHTSTM
Targeted protein degrader structure, illustration