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Substance Name: Allocholesterol
RN: 517-10-2
UNII: 09BHM92Y0W
InChIKey: UIMGHSAOLFTOBF-DPAQBDIFSA-N

Molecular Formula

  • C27-H46-O

Molecular Weight

  • 386.6594
 
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Names and Synonyms

Name of Substance

  • Allocholesterol

Synonyms

  • Allocholesterin
  • Allocholesterol
  • Allocholesterol [MI]
  • Cholest-4-en-3-ol, (3beta)-
  • Cholest-4-en-3beta-ol
  • Coprostenol
  • delta4-Cholesten-3beta-ol
  • NSC-18185
  • UNII-09BHM92Y0W

Registry Numbers

CAS Registry Number

  • 517-10-2

FDA UNII

  • 09BHM92Y0W

System Generated Number

  • 0000517102

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/h17-19,21-25,28H,6-16H2,1-5H3/t19-,21+,22+,23-,24+,25+,26+,27-/m1/s1

InChIKey

UIMGHSAOLFTOBF-DPAQBDIFSA-N

Smiles

C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=C[C@H](CC[C@]34C)O)C

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 132 deg C   EXP
log P (octanol-water) 8.740 (none)   EST
Atmospheric OH Rate Constant 1.28E-10 cm3/molecule-sec 25 EST

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