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Substance Name: Batzelladine I
RN: 188112-86-9
InChIKey: NNMOCIQZSZKYEQ-WGJBBYDGSA-O

Molecular Formula

  • C35-H57-N6-O3

Molecular Weight

  • 609.8743
 
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Names and Synonyms

Results Name

  • Batzelladine I

Synonym

  • Batzelladine I

Systematic Name

  • (2aS)-8-(((7-((2aS,4R,7R,8aS)-5-Hydroxy-7-methyl-2,2a,3,4,5,7,8,8a-octahydro-1H-5,6,8b-triazaacenaphthylen-4-yl)heptyl)oxy)carbonyl)-4-heptyl-7-methyl-1,2,2a,3,4,5-hexahydro-5,6-diaza-8b-azoniaacenaphthylene

Registry Numbers

CAS Registry Number

  • 188112-86-9

System Generated Number

  • 0188112869

Structure Descriptors

InChI

1S/C35H56N6O3/c1-4-5-6-8-11-14-26-22-28-18-19-31-32(25(3)37-34(38-26)40(28)31)33(42)44-20-13-10-7-9-12-15-30-23-29-17-16-27-21-24(2)36-35(39(27)29)41(30)43/h24,26-30,43H,4-23H2,1-3H3/p+1/t24-,26?,27+,28+,29+,30-/m1/s1

InChIKey

NNMOCIQZSZKYEQ-WGJBBYDGSA-O

Smiles

CCCCCCCC1C[C@@H]2CCc3[n+]2c(nc(c3C(=O)OCCCCCCC[C@@H]4C[C@@H]5CC[C@@H]6N5C(=N[C@@H](C6)C)N4O)C)N1