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Substance Name: Cholesterylene
RN: 747-90-0
InChIKey: RLHIRZFWJBOHHD-HKQCOZBKSA-N

Note

  • Non-polar dehydration product of cholesterol found in high levels in the cornea.

Molecular Formula

  • C27-H44

Molecular Weight

  • 368.645
 
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Names and Synonyms

Name of Substance

  • Cholesterylene

Synonyms

  • Cholesterilene
  • delta(sup 3,5)-Cholestadiene
  • delta-(sup 3,5)-Cholestadien
  • delta-(sup 3,5)-Cholestadien [German]
  • delta-3,5-Cholestadiene
  • EINECS 212-021-4
  • NSC 5193

Systematic Name

  • Cholesta-3,5-diene

Registry Numbers

CAS Registry Number

  • 747-90-0

System Generated Number

  • 0000747900

Structure Descriptors

InChI

1S/C27H44/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/h6,11-12,19-20,22-25H,7-10,13-18H2,1-5H3/t20-,22+,23-,24+,25+,26+,27-/m1/s1

InChIKey

RLHIRZFWJBOHHD-HKQCOZBKSA-N

Smiles

C1=2[C@@](CCC=C1)(C)[C@@H]1[C@H]([C@@H]3CC[C@@H]([C@@]3(CC1)C)[C@@H](CCCC(C)C)C)CC2

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 794mg/kg (794mg/kg)   National Technical Information Service. Vol. PB214-270,

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 80 deg C   EXP
log P (octanol-water) 10.06 (none)   EST
Atmospheric OH Rate Constant 2.21E-10 cm3/molecule-sec 25 EST

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