Chem
J-GLOBAL ID：200907031659584070   Nikkaji number：J833.804C

Batzelladine F

バツェラジンF
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C37H64N6O2
Molecular formula furigana： C37-H64-N6-O2
Molecular weight： 624.959
InChI： InChI=1S/C37H64N6O2/c1-5-6-7-8-9-10-13-16-29-24-32-20-21-33-34(27(4)39-37(41-29)43(32)33)35(44)45-26(3)15-12-11-14-17-28-23-31-19-18-30-22-25(2)38-36(40-28)42(30)31/h25-34H,5-24H2,1-4H3,(H,38,40)(H,39,41)/t25-,26?,27-,28-,29-,30+,31+,32+,33+,34+/m1/s1
InChI key： OQQOMTYUIIYYMD-JYLKWQMLSA-N
SMILES： CCCCCCCCC[C@@H]1C[C@@H]2CC[C@H]3[C@H]([C@@H](C)N=C(N1)N23)C(=O)OC(C)CCCCC[C@@H]1C[C@@H]2CC[C@H]3C[C@@H](C)NC(=N1)N23
Systematic name  (3)：
  • 4β-メチル-7α-ノニル-2,2aα,3,4,6,7,8,8aβ-オクタヒドロ-1H-5,6,8b-トリアザアセナフチレン-3β-カルボン酸1-メチル-6-[(7α-メチル-2,2aα,3,4,6,7,8,8aβ-オクタヒドロ-1H-5,6,8b-トリアザアセナフチレン)-4β-イル]ヘキシル
  • 7-[(1S,4S,6R,10R)-10-メチル-7,9,12-トリアザトリシクロ[6.3.1.04,12]ドデカ-7-エン-6-イル]ヘプタン-2-イル (1S,4S,5S,6R,10R)-6-メチル-10-ノニル-7,9,12-トリアザトリシクロ[6.3.1.04,12]ドデカ-7-エン-5-カルボキシラート
  • 7-[(1S,4S,6R,10R)-10-methyl-7,9,12-triazatricyclo[6.3.1.04,12]dodec-7-en-6-yl]heptan-2-yl (1S,4S,5S,6R,10R)-6-methyl-10-nonyl-7,9,12-triazatricyclo[6.3.1.04,12]dodec-7-ene-5-carboxylate
Other name (3)：
  • バツェラジンF
  • Batzelladine F
  • 4β-Methyl-7α-nonyl-2,2aα,3,4,6,7,8,8aβ-octahydro-1H-5,6,8b-triazaacenaphthylene-3β-carboxylic acid 1-methyl-6-[(7α-methyl-2,2aα,3,4,6,7,8,8aβ-octahydro-1H-5,6,8b-triazaacenaphthylen)-4β-yl]hexyl ester
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