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Substance Name: 7-Dehydrocholesterol benzoate
RN: 1182-06-5
UNII: BHY886542N
InChIKey: IHOQNBAZWVTKFK-BVBBTSNESA-N

Molecular Formula

  • C34-H48-O2

Molecular Weight

  • 488.751
 
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Names and Synonyms

Name of Substance

  • 7-Dehydrocholesterol benzoate

Synonyms

  • 3beta-Benzoyloxycholesta-5,7-diene
  • 5,7-Cholestandien-3beta-ol, benzoate
  • 7-Dehydrocholesterol benzoate
  • 7-Dehydrocholesteryl benzoate
  • Cholesta-5,7-dien-3beta-ol benzoate
  • delta5,7-Cholesteryl benzoate
  • EINECS 214-653-6
  • NSC 18184
  • UNII-BHY886542N

Systematic Names

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

Registry Numbers

CAS Registry Number

  • 1182-06-5

FDA UNII

  • BHY886542N

System Generated Number

  • 0001182065

Structure Descriptors

InChI

1S/C34H48O2/c1-23(2)10-9-11-24(3)29-16-17-30-28-15-14-26-22-27(36-32(35)25-12-7-6-8-13-25)18-20-33(26,4)31(28)19-21-34(29,30)5/h6-8,12-15,23-24,27,29-31H,9-11,16-22H2,1-5H3/t24-,27+,29-,30+,31+,33+,34-/m1/s1

InChIKey

IHOQNBAZWVTKFK-BVBBTSNESA-N

Smiles

O=C(c1ccccc1)O[C@H]1CC[C@@]2(C(=CC=C3[C@H]4[C@@]([C@H](CC4)[C@@H](CCCC(C)C)C)(CC[C@H]23)C)C1)C