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Substance Name: Cholest-5-en-3-ol (3beta)-, 3-(3,5-dinitrobenzoate)
RN: 25279-63-4
InChIKey: HHGUYYDVBVJLCU-UHFFFAOYSA-N

Molecular Formula

  • C34-H48-N2-O6

Molecular Weight

  • 580.761
 
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Names and Synonyms

  • Cholest-5-en-3-ol (3beta)-, 3,5-dinitrobenzoate
  • Cholest-5-en-3-ol (3beta)-, 3-(3,5-dinitrobenzoate)

Registry Numbers

CAS Registry Number

  • 25279-63-4

System Generated Number

  • 0025279634

Structure Descriptors

InChI

1S/C34H48N2O6/c1-21(2)7-6-8-22(3)29-11-12-30-28-10-9-24-19-27(13-15-33(24,4)31(28)14-16-34(29,30)5)42-32(37)23-17-25(35(38)39)20-26(18-23)36(40)41/h9,17-18,20-22,27-31H,6-8,10-16,19H2,1-5H3

InChIKey

HHGUYYDVBVJLCU-UHFFFAOYSA-N

Smiles

O=C(O[C@@H]1CC[C@@]2(C(=CC[C@@H]3[C@@H]4[C@@]([C@@H](CC4)[C@@H](CCCC(C)C)C)(CC[C@@H]23)C)C1)C)c1cc([N+](=O)[O-])cc([N+]([O-])=O)c1