Chem
J-GLOBAL ID：200907017539745190   Nikkaji number：J1.096.172F

4β-Methyl-7β-(6-acetoxyheptyl)-2,2aα,3,4,6,7,8,8aα-octahydro-1H-5,6,8b-triazaacenaphthylene

4β-メチル-7β-(6-アセトキシヘプチル)-2,2aα,3,4,6,7,8,8aα-オクタヒドロ-1H-5,6,8b-トリアザアセナフチレン
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： C19H33N3O2
Molecular formula furigana： C19-H33-N3-O2
Molecular weight： 335.492
InChI： InChI=1S/C19H33N3O2/c1-13-11-17-9-10-18-12-16(21-19(20-13)22(17)18)8-6-4-5-7-14(2)24-15(3)23/h13-14,16-18H,4-12H2,1-3H3,(H,20,21)/t13-,14?,16+,17+,18-/m1/s1
InChI key： ALJPIEFHAWCFCZ-QXXZTHTMSA-N
SMILES： CC(CCCCC[C@H]1C[C@H]2CC[C@H]3C[C@@H](C)N=C(N1)N23)OC(=O)C
Systematic name  (4)：
  • (4R)-4β-メチル-7β-(6-アセトキシヘプチル)-2,2aα,3,4,6,7,8,8aα-オクタヒドロ-1H-5,6,8b-トリアザアセナフチレン
  • 4β-メチル-7β-(6-アセトキシヘプチル)-2,2aα,3,4,6,7,8,8aα-オクタヒドロ-1H-5,6,8b-トリアザアセナフチレン
  • 7-[(1S,4R,6S,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-8-エン-6-イル]ヘプタン-2-イル アセタート
  • 7-[(1S,4R,6S,10R)-10-methyl-7,9,12-triazatricyclo[6.3.1.04,12]dodec-8-en-6-yl]heptan-2-yl acetate
Other name (2)：
  • (4R)-4β-Methyl-7β-(6-acetoxyheptyl)-2,2aα,3,4,6,7,8,8aα-octahydro-1H-5,6,8b-triazaacenaphthylene
  • 4β-Methyl-7β-(6-acetoxyheptyl)-2,2aα,3,4,6,7,8,8aα-octahydro-1H-5,6,8b-triazaacenaphthylene
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