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Substance Name: Cholesteryl oleyl carbonate
RN: 17110-51-9
UNII: 95LLB1K2WE
InChIKey: XMPIMLRYNVGZIA-TZOMHRFMSA-N

Molecular Formula

  • C46-H80-O3

Molecular Weight

  • 681.135
 
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Names and Synonyms

Name of Substance

  • Cholesteryl oleyl carbonate

Synonyms

  • EINECS 241-179-7
  • UNII-95LLB1K2WE

Systematic Names

  • Cholest-5-en-3-ol (3beta)-, (9Z)-9-octadecenyl carbonate
  • Cholest-5-en-3-ol (3beta)-, 3-((9Z)-9-octadecen-1-yl carbonate)
  • Cholest-5-en-3beta-yl (Z)-octadec-9-en-1-yl carbonate

Registry Numbers

CAS Registry Number

  • 17110-51-9

FDA UNII

  • 95LLB1K2WE

Other Registry Number

  • 76202-42-1

System Generated Number

  • 0017110519

Structure Descriptors

InChI

1S/C46H80O3/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-34-48-44(47)49-39-30-32-45(5)38(35-39)26-27-40-42-29-28-41(37(4)25-23-24-36(2)3)46(42,6)33-31-43(40)45/h14-15,26,36-37,39-43H,7-13,16-25,27-35H2,1-6H3/b15-14-/t37-,39+,40+,41-,42+,43+,45+,46-/m1/s1

InChIKey

XMPIMLRYNVGZIA-TZOMHRFMSA-N

Smiles

CCCCCCCC\C=C/CCCCCCCCOC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3CC=C2C1)[C@H](C)CCCC(C)C