(3α,5β,7α,12α,23R)-3,7,12,23-Tetrahydroxycholan-24-oic acid

CAS Registry Number®

6879-45-4

CAS Name

(3α,5β,7α,12α,23R)-3,7,12,23-Tetrahydroxycholan-24-oic acid

Molecular Formula

C24H40O6

Molecular Mass

424.57

Cite this Page

(3α,5β,7α,12α,23R)-3,7,12,23-Tetrahydroxycholan-24-oic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=6879-45-4 (retrieved 2025-05-04) (CAS RN: 6879-45-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C24H40O6/c1-12(8-19(27)22(29)30)15-4-5-16-21-17(11-20(28)24(15,16)3)23(2)7-6-14(25)9-13(23)10-18(21)26/h12-21,25-28H,4-11H2,1-3H3,(H,29,30)/t12-,13+,14-,15-,16+,17+,18-,19-,20+,21+,23+,24-/m1/s1

InChIKey

InChIKey=UJYLRDMHTJWIQW-SWSYAYITSA-N

SMILES

O[C@H]1[C@]2([C@]3([C@@](C)([C@@]([C@@H](C[C@H](C(O)=O)O)C)(CC3)[H])[C@@H](O)C[C@@]2([C@]4(C)[C@](C1)(C[C@H](O)CC4)[H])[H])[H])[H]

Canonical SMILES

O=C(O)C(O)CC(C)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CC(O)C12C

Other Names for this Substance

  • Cholan-24-oic acid, 3,7,12,23-tetrahydroxy-, (3α,5β,7α,12α,23R)-
  • 5β-Cholan-24-oic acid, 3α,7α,12α,23-tetrahydroxy-
  • α-Phocaecholic acid
  • (3α,5β,7α,12α,23R)-3,7,12,23-Tetrahydroxycholan-24-oic acid
  • 3α,7α,12α,23R-Tetrahydroxycholanic acid

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