7α,12α-Dihydroxy-5β-cholestan-3-one

CAS Registry Number®

547-97-7
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CAS Name

7α,12α-Dihydroxy-5β-cholestan-3-one

Molecular Formula

C27H46O3

Molecular Mass

418.65

Cite this Page

7α,12α-Dihydroxy-5β-cholestan-3-one.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=547-97-7 (retrieved 2024-04-29) (CAS RN: 547-97-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C27H46O3/c1-16(2)7-6-8-17(3)20-9-10-21-25-22(15-24(30)27(20,21)5)26(4)12-11-19(28)13-18(26)14-23(25)29/h16-18,20-25,29-30H,6-15H2,1-5H3/t17-,18+,20-,21+,22+,23-,24+,25+,26+,27-/m1/s1

InChIKey

InChIKey=HHVQPBXBALLUDF-QORHGLQKSA-N

SMILES

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

Canonical SMILES

O=C1CCC2(C)C(C1)CC(O)C3C4CCC(C(C)CCCC(C)C)C4(C)C(O)CC32

Other Names for this Substance

  • Cholestan-3-one, 7,12-dihydroxy-, (5β,7α,12α)-
  • 5β-Cholestan-3-one, 7α,12α-dihydroxy-
  • (5β,7α,12α)-7,12-Dihydroxycholestan-3-one
  • 7α,12α-Dihydroxy-5β-cholestan-3-one
  • 7α,12α-Dihydroxy-5β-cholestane-3-one

CAS INSIGHTSTM
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