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Substance Name: Cholesta-5,7-dien-3-beta-ol, acetate (8CI)
RN: 1059-86-5
InChIKey: ACGNVBRAISEVDK-RPIQFHTISA-N

Classification Code

  • Tumor Data

Molecular Formula

  • C29-H46-O2

Molecular Weight

  • 426.68
 
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Names and Synonyms

Synonyms

  • 3beta-Acetoxychoesta-5,7-diene
  • 4-06-00-04153 (Beilstein Handbook Reference)
  • 7-Dehydrocholesterol acetate
  • 7-Dehydrocholesteryl acetate
  • BRN 3224391
  • Cholest-5,7-dien-3beta-yl acetate
  • Cholesta-5,7-dien-3-ol, acetate, (3beta)
  • Cholesta-5,7-dien-3beta-ol acetate
  • Cholesta-5,7-dien-3beta-yl acetate
  • EINECS 213-896-5
  • NSC 226869

Systematic Names

  • Cholesta-5,7-dien-3-beta-ol, acetate (8CI)
  • Cholesta-5,7-dien-3-beta-yl acetate
  • Cholesta-5,7-dien-3-ol, acetate, (3-beta)
  • Cholesta-5,7-dien-3-ol, acetate, (3beta)- (9CI)
  • Cholesta-5,7-dien-3beta-ol, acetate (8CI)

Registry Numbers

CAS Registry Number

  • 1059-86-5

System Generated Number

  • 0001059865

Structure Descriptors

InChI

1S/C29H46O2/c1-19(2)8-7-9-20(3)25-12-13-26-24-11-10-22-18-23(31-21(4)30)14-16-28(22,5)27(24)15-17-29(25,26)6/h10-11,19-20,23,25-27H,7-9,12-18H2,1-6H3/t20-,23+,25-,26+,27+,28+,29-/m1/s1

InChIKey

ACGNVBRAISEVDK-RPIQFHTISA-N

Smiles

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