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Substance Name: Epicholesterol
RN: 474-77-1
UNII: MP3S3KD84I
InChIKey: HVYWMOMLDIMFJA-VEIPTCAHSA-N

Molecular Formula

  • C27-H46-O

Molecular Weight

  • 386.6594
 
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Names and Synonyms

Name of Substance

  • Epicholesterol

Synonyms

  • 3-Epicholesterol
  • 3alpha-Cholesterol
  • alpha-Cholesterol
  • Cholest-5-en-3-ol, (3alpha)-
  • epi-Cholesterol
  • Epicholesterol
  • Epicholesterol [MI]
  • UNII-MP3S3KD84I

Registry Numbers

CAS Registry Number

  • 474-77-1

FDA UNII

  • MP3S3KD84I

System Generated Number

  • 0000474771

Structure Descriptors

InChI

1S/C27H46O/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/h9,18-19,21-25,28H,6-8,10-17H2,1-5H3/t19-,21-,22+,23-,24+,25+,26+,27-/m1/s1

InChIKey

HVYWMOMLDIMFJA-VEIPTCAHSA-N

Smiles

CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[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) 8.740 (none)   EST
Atmospheric OH Rate Constant 1.29E-10 cm3/molecule-sec 25 EST

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