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Substance Name: JB 69
RN: 126671-67-8
InChIKey: RXBJMCPLNARKGA-UHFFFAOYSA-N

Molecular Formula

  • C36-H57-N2-O9-P.Na

Molecular Weight

  • 715.815
 
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Names and Synonyms

Name of Substance

  • JB 69

Synonyms

  • 3-(7beta-Hydroxycholesteryl) 5'-(2'-deoxyuridylyl)monophosphate
  • JB-69

Systematic Name

  • 5'-Uridylic acid, 2'-deoxy-, mono((3beta,7beta)-7-hydroxycholest-5-en-3-yl) ester, monosodium salt

Registry Numbers

CAS Registry Number

  • 126671-67-8

System Generated Number

  • 0126671678

Molecular Formulas

Molecular Formula

  • C36-H57-N2-O9-P.Na

Molecular Formula Fragments

  • C36-H57-N2-O9-P
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C36H57N2O9P.Na/c1-21(2)7-6-8-22(3)25-9-10-26-33-27(12-15-36(25,26)5)35(4)14-11-24(17-23(35)18-29(33)40)47-48(43,44)45-20-30-28(39)19-32(46-30)38-16-13-31(41)37-34(38)42;/h13,16,18,21-22,24-30,32-33,39-40H,6-12,14-15,17,19-20H2,1-5H3,(H,43,44)(H,37,41,42);/q;+1

InChIKey

RXBJMCPLNARKGA-UHFFFAOYSA-N

Smiles

C1[C@@H](O[P@@](O)(OC[C@@H]2O[C@@H](n3c([nH]c(cc3)=O)=O)C[C@@H]2O)=O)CC[C@@]2(C1=C[C@@H]([C@@H]1[C@@H]2CC[C@@]2([C@@H]1CC[C@@H]2[C@@H](CCCC(C)C)C)C)O)C.[Na+]