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Substance Name: 3-Benzoyloxy-6-chlorocholest-7-ene
RN: 113274-91-2
InChIKey: UKWQLUBQPDACSU-BCQVWVLBSA-N

Molecular Formula

  • C34-H49-Cl-O2

Molecular Weight

  • 525.2121
 
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Names and Synonyms

Name of Substance

  • 3-Benzoyloxy-6-chlorocholest-7-ene

Synonyms

  • 3-Bocce
  • 3beta-Benzoyloxy-6alpha-chloro-5alpha-cholest-7-ene
  • 6-Chlorocholest-7-en-3-ol benzoate, (3beta,5alpha,6alpha)-

Systematic Name

  • Cholest-7-en-3-ol, 6-chloro-, benzoate, (3beta,5alpha,6alpha)-

Registry Numbers

CAS Registry Number

  • 113274-91-2

System Generated Number

  • 0113274912

Structure Descriptors

InChI

1S/C34H49ClO2/c1-22(2)10-9-11-23(3)27-14-15-28-26-21-31(35)30-20-25(37-32(36)24-12-7-6-8-13-24)16-18-34(30,5)29(26)17-19-33(27,28)4/h6-8,12-13,21-23,25,27-31H,9-11,14-20H2,1-5H3/t23-,25+,27-,28+,29+,30-,31+,33-,34-/m1/s1

InChIKey

UKWQLUBQPDACSU-BCQVWVLBSA-N

Smiles

C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3C2=C[C@@H]([C@@H]4[C@@]3(CC[C@@H](C4)OC(=O)c5ccccc5)C)Cl)C