3α,7α-Dihydroxy-5β-cholestanoic acid

CAS Registry Number®

17974-66-2
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CAS Name

3α,7α-Dihydroxy-5β-cholestanoic acid

Molecular Formula

C27H46O4

Molecular Mass

434.65

Cite this Page

3α,7α-Dihydroxy-5β-cholestanoic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=17974-66-2 (retrieved 2024-09-07) (CAS RN: 17974-66-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C27H46O4/c1-16(6-5-7-17(2)25(30)31)20-8-9-21-24-22(11-13-27(20,21)4)26(3)12-10-19(28)14-18(26)15-23(24)29/h16-24,28-29H,5-15H2,1-4H3,(H,30,31)/t16-,17?,18+,19-,20-,21+,22+,23-,24+,26+,27-/m1/s1

InChIKey

InChIKey=ITZYGDKGRKKBSN-HKFUITGCSA-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](CCCC(C(O)=O)C)C)[H])[H]

Canonical SMILES

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

Other Names for this Substance

  • Cholestan-26-oic acid, 3,7-dihydroxy-, (3α,5β,7α)-
  • 5β-Cholestan-26-oic acid, 3α,7α-dihydroxy-
  • (3α,5β,7α)-3,7-Dihydroxycholestan-26-oic acid
  • 3α,7α-Dihydroxycoprostanic acid
  • 3α,7α-Dihydroxy-5β-cholestan-26-oic acid

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