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Substance Name: Coprosterol
RN: 360-68-9
UNII: PPT67I3S74
InChIKey: QYIXCDOBOSTCEI-NWKZBHTNSA-N

Classification Code

  • Tumor Data

Molecular Formula

  • C27-H48-O

Molecular Weight

  • 388.6752
 
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Names and Synonyms

Name of Substance

  • Coprosterol

Synonyms

  • (3-beta,5-beta)-Cholestan-3-ol
  • 3-beta-Cholestanol
  • 3-beta-Hydroxycholestane
  • 3beta-Hydroxy-5beta-cholestanol
  • Coprostan-3-beta-ol
  • Coprostanol
  • Coprosterol
  • EINECS 206-638-8
  • Koprosterin
  • Koprosterin [German]
  • Koprosterol
  • NSC 18175
  • Stercorin
  • UNII-PPT67I3S74

Systematic Names

  • 5-beta-Cholestan-3-beta-ol
  • 5beta-Cholestan-3beta-ol (8CI)
  • Cholestan-3-ol, (3-beta,5-beta)- (9CI)
  • Cholestan-3-ol, (3beta,5beta)-
  • Cholestan-3-ol, (3beta,5beta)- (9CI)

Registry Numbers

CAS Registry Number

  • 360-68-9

FDA UNII

  • PPT67I3S74

System Generated Number

  • 0000360689

Structure Descriptors

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-NWKZBHTNSA-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 102 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.