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Substance Name: 3-Hydroxycholest-7-ene-9-carbonitrile
RN: 78806-56-1
InChIKey: UGQJPOOFVAXUFV-BBILVHIOSA-N

Molecular Weight

  • 549.8119
 
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Names and Synonyms

Name of Substance

  • 3-Hydroxycholest-7-ene-9-carbonitrile

Synonyms

  • 3beta-Hydroxy-5alpha-cholest-7-ene-9alpha-carbonitrile
  • BHCEC

Systematic Name

  • Cholestane-9-carbonitrile, 3-(acetyloxy)-7-((methylsulfonyl)oxy)-, (3beta,5alpha,7alpha)-

Registry Numbers

CAS Registry Number

  • 78806-56-1

System Generated Number

  • 0078806561

Structure Descriptors

InChI

1S/C31H51NO5S/c1-20(2)9-8-10-21(3)25-11-12-26-28-27(37-38(7,34)35)18-23-17-24(36-22(4)33)13-14-30(23,6)31(28,19-32)16-15-29(25,26)5/h20-21,23-28H,8-18H2,1-7H3/t21-,23-,24+,25-,26+,27-,28-,29-,30+,31?/m1/s1

InChIKey

UGQJPOOFVAXUFV-BBILVHIOSA-N

Smiles

C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CCC3([C@H]2[C@@H](C[C@@H]4[C@@]3(CC[C@@H](C4)OC(=O)C)C)OS(=O)(=O)C)C#N)C