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Substance Name: Coprostane
RN: 481-20-9
UNII: 6P255N992E
InChIKey: XIIAYQZJNBULGD-CJPSHIORSA-N

Molecular Formula

  • C27-H48

Molecular Weight

  • 372.6762
 
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Names and Synonyms

Name of Substance

  • Coprostane

Synonyms

  • 5beta-Cholestane
  • beta-Cholestane
  • Cholestane, (5beta)-
  • Coprostane
  • Coprostane [MI]
  • Pseudocholestane
  • UNII-6P255N992E

Registry Numbers

CAS Registry Number

  • 481-20-9

FDA UNII

  • 6P255N992E

System Generated Number

  • 0000481209

Structure Descriptors

InChI

1S/C27H48/c1-19(2)9-8-10-20(3)23-14-15-24-22-13-12-21-11-6-7-17-26(21,4)25(22)16-18-27(23,24)5/h19-25H,6-18H2,1-5H3/t20-,21+,22+,23-,24+,25+,26+,27-/m1/s1

InChIKey

XIIAYQZJNBULGD-CJPSHIORSA-N

Smiles

C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@H]4[C@@]3(CCCC4)C)C

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 72 deg C   EXP
log P (octanol-water) 10.36 (none)   EST
Atmospheric OH Rate Constant 3.90E-11 cm3/molecule-sec 25 EST

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