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Substance Name: Vobtusine
RN: 19772-79-3
InChIKey: IIMPGJMHQMBXKL-OPDPKHDKSA-N

Molecular Formula

  • C43-H50-N4-O6

Molecular Weight

  • 718.89
 
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Names and Synonyms

Synonyms

  • EINECS 243-288-5
  • NSC 180540
  • Vobtusin

Systematic Name

  • Vobtusine

Registry Numbers

CAS Registry Number

  • 19772-79-3

System Generated Number

  • 0019772793

Structure Descriptors

InChI

1S/C43H50N4O6/c1-50-30-9-5-7-28-32(30)47-24-38(20-25-21-39-13-18-52-31(39)10-15-45-17-12-42(28,36(39)45)43(25,47)49)23-46-16-11-41-27-6-3-4-8-29(27)44-33(41)26(34(48)51-2)22-40(35(41)46)14-19-53-37(38)40/h3-9,25,31,35-37,44,49H,10-24H2,1-2H3/t25-,31+,35+,36+,37+,38+,39-,40+,41+,42-,43-/m1/s1

InChIKey

IIMPGJMHQMBXKL-OPDPKHDKSA-N

Smiles

C=12[C@@]3(c4c(N2)cccc4)CC[N@@]2C[C@]4(CN5c6c(cccc6OC)[C@@]67[C@]5(O)[C@H](C[C@@]58[C@H](CC[N@@]([C@H]68)CC7)OCC5)C4)[C@H]4[C@@](CCO4)(CC1C(=O)OC)[C@@H]32