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Substance Name: Cholesteryl butanoate
RN: 521-13-1
UNII: 50QA4YCP7F
InChIKey: CKDZWMVGDHGMFR-GTPODGLVSA-N

Molecular Formula

  • C31-H52-O2

Molecular Weight

  • 456.75
 
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Names and Synonyms

Name of Substance

  • Cholesteryl butanoate

Synonyms

  • EINECS 208-304-7
  • UNII-50QA4YCP7F

Systematic Names

  • Cholest-5-en-3-ol (3beta)-, 3-butanoate
  • Cholest-5-en-3-ol (3beta)-, butanoate
  • Cholest-5-en-3beta-ol butyrate

Registry Numbers

CAS Registry Number

  • 521-13-1

FDA UNII

  • 50QA4YCP7F

System Generated Number

  • 0000521131

Structure Descriptors

InChI

1S/C31H52O2/c1-7-9-29(32)33-24-16-18-30(5)23(20-24)12-13-25-27-15-14-26(22(4)11-8-10-21(2)3)31(27,6)19-17-28(25)30/h12,21-22,24-28H,7-11,13-20H2,1-6H3/t22-,24+,25+,26-,27+,28+,30+,31-/m1/s1

InChIKey

CKDZWMVGDHGMFR-GTPODGLVSA-N

Smiles

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