Chem
J-GLOBAL ID:200907027801284790   Nikkaji number:J2.650.262D

(1β,4β,7S)-2-Benzoyl-3α-methyl-7-[1-(benzyloxy)-3-butenyl]-2-azabicyclo[2.2.2]octa-5-ene

(1β,4β,7S)-2-ベンゾイル-3α-メチル-7-[1-(ベンジルオキシ)-3-ブテニル]-2-アザビシクロ[2.2.2]オクタ-5-エン
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: C26H29NO2
Molecular formula furigana: C26-H29-N-O2
Molecular weight: 387.523
InChI: InChI=1S/C26H29NO2/c1-3-10-25(29-18-20-11-6-4-7-12-20)23-17-22-15-16-24(23)27(19(22)2)26(28)21-13-8-5-9-14-21/h3-9,11-16,19,22-25H,1,10,17-18H2,2H3/t19-,22-,23+,24+,25?/m1/s1
InChI key: YDZUQLYMFYGWJX-QICVAGDPSA-N
SMILES: C[C@@H]1[C@H]2C[C@H](C(CC=C)OCc3ccccc3)[C@H](C=C2)N1C(=O)c1ccccc1
Systematic name  (3):
  • (1β,4β,7S)-2-ベンゾイル-3α-メチル-7-[1-(ベンジルオキシ)-3-ブテニル]-2-アザビシクロ[2.2.2]オクタ-5-エン
  • (1S,3R,4S,7S)-2-ベンゾイル-7-[1-(ベンジルオキシ)ブタ-3-エン-1-イル]-3-メチル-2-アザビシクロ[2.2.2]オクタ-5-エン
  • (1S,3R,4S,7S)-2-benzoyl-7-[1-(benzyloxy)but-3-en-1-yl]-3-methyl-2-azabicyclo[2.2.2]oct-5-ene
Other name (1):
  • (1β,4β,7S)-2-Benzoyl-3α-methyl-7-[1-(benzyloxy)-3-butenyl]-2-azabicyclo[2.2.2]octa-5-ene
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