Chem
J-GLOBAL ID：200907083768166504   Nikkaji number：J2.367.936A

(4aS,8aS,11R)-4a,5,9,10,11,12-Hexahydro-3-methoxy-6β-hydroxy-11-methyl-11-azonia-6H-benzofuro[3a,3,2-ef][2]benzoazepine

(4aS,8aS,11R)-4a,5,9,10,11,12-ヘキサヒドロ-3-メトキシ-6β-ヒドロキシ-11-メチル-11-アゾニア-6H-ベンゾフロ[3a,3,2-ef][2]ベンゾアゼピン
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： C17H22[N+]O3
Molecular formula furigana： C17-H22-N-O3
Molecular weight： 288.366
InChI： InChI=1S/C17H21NO3/c1-18-8-7-17-6-5-12(19)9-14(17)21-16-13(20-2)4-3-11(10-18)15(16)17/h3-6,12,14,19H,7-10H2,1-2H3/p+1/t12-,14-,17-/m0/s1
InChI key： ASUTZQLVASHGKV-JDFRZJQESA-O
SMILES： COc1ccc2C[N@H+](C)CC[C@@]34C=C[C@H](O)C[C@@H]3Oc1c24
Systematic name  (3)：
  • (4aS,8aS,11R)-4a,5,9,10,11,12-ヘキサヒドロ-3-メトキシ-6β-ヒドロキシ-11-メチル-11-アゾニア-6H-ベンゾフロ[3a,3,2-ef][2]ベンゾアゼピン
  • (1S,4R,12S,14R)-14-ヒドロキシ-9-メトキシ-4-メチル-11-オキサ-4-アザテトラシクロ[8.6.1.01,12.06,17]ヘプタデカ-6,8,10(17),15-テトラエン-4-イウム
  • (1S,4R,12S,14R)-14-hydroxy-9-methoxy-4-methyl-11-oxa-4-azatetracyclo[8.6.1.01,12.06,17]heptadeca-6,8,10(17),15-tetraen-4-ium
Other name (1)：
  • (4aS,8aS,11R)-4a,5,9,10,11,12-Hexahydro-3-methoxy-6β-hydroxy-11-methyl-11-azonia-6H-benzofuro[3a,3,2-ef][2]benzoazepine
Thsaurus map：
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