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Substance Name: Cholestanol
RN: 80-97-7
UNII: 8M308U816E
InChIKey: QYIXCDOBOSTCEI-QCYZZNICSA-N

Note

  • A cholesterol derivative found in human feces, gallstones, eggs, and other biological matter.

Molecular Formula

  • C27-H48-O

Molecular Weight

  • 388.675
 
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Names and Synonyms

Name of Substance

  • Cholestanol
  • Dihydrocholesterol

MeSH Heading

  • Cholestanol

Synonyms

  • 3beta-Hydroxy-5alpha-cholestane
  • 3beta-Hydroxycholestane
  • 5alpha-Cholestanol
  • 5alpha-Dihydrocholesterol
  • beta-Cholestanol
  • Cholestan-3beta-ol
  • Cholestanol (VAN)
  • Dihydrocholesterin
  • Dihydrocholesterol
  • EINECS 201-315-8
  • NSC 18188
  • UNII-8M308U816E
  • Zymostanol

Systematic Names

  • 5-alpha-Cholestan-3-beta-ol
  • Cholestan-3-ol, (3beta,5alpha)-
  • Cholestanol

Registry Numbers

CAS Registry Number

  • 80-97-7

FDA UNII

  • 8M308U816E

Other Registry Numbers

  • 118167-50-3
  • 2089495-76-9
  • 29466-38-4
  • 471920-77-1

System Generated Number

  • 0000080977

Structure Descriptors

InChI

InChI=1S/C27H48O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h18-25,28H,6-17H2,1-5H3/t19-,20+,21+,22+,23-,24+,25+,26+,27-/m1/s1

InChIKey

QYIXCDOBOSTCEI-QCYZZNICSA-N

Smiles

CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 141.5 deg C   EXP
log P (octanol-water) 8.820 (none)   EST
Atmospheric OH Rate Constant 4.80E-11 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.