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Substance Name: NSC 335647
RN: 36418-13-0
InChIKey: XMPDJTPBQGEPGK-XZWHSSHBSA-N

Molecular Formula

  • C38-H42-N2-O6

Molecular Weight

  • 622.758
 
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Names and Synonyms

  • 1-O-Methylpakistanine
  • NSC 335647
  • O1-Methylpakistanine

Registry Numbers

CAS Registry Number

  • 36418-13-0

System Generated Number

  • 0036418130

Structure Descriptors

InChI

1S/C38H42N2O6/c1-39-13-11-23-17-33(42-3)34(43-4)21-27(23)29(39)15-22-7-9-26(10-8-22)46-32-19-25-16-30-36-24(12-14-40(30)2)18-35(44-5)38(45-6)37(36)28(25)20-31(32)41/h7-10,17-21,29-30,41H,11-16H2,1-6H3/t29-,30+/m0/s1

InChIKey

XMPDJTPBQGEPGK-XZWHSSHBSA-N

Smiles

C1[N@@]([C@@H]2Cc3c(c4c2c(C1)cc(c4OC)OC)cc(c(c3)Oc1ccc(cc1)C[C@@H]1[N@@](CCc2cc(c(cc12)OC)OC)C)O)C