Chem
J-GLOBAL ID：200907040816549916   Nikkaji number：J2.134.096K

(4aS,8aS)-3-Methoxy-6β-hydroxy-11-[8-(1,3-dioxo-1,3-dihydro-2H-isoindole-2-yl)octyl]-4aα,5,9,10-tetrahydro-6H-benzofuro[3a,3,2-ef][2]benzazepine-11-ium

(4aS,8aS)-3-メトキシ-6β-ヒドロキシ-11-[8-(1,3-ジオキソ-1,3-ジヒドロ-2H-イソインドール-2-イル)オクチル]-4aα,5,9,10-テトラヒドロ-6H-ベンゾフロ[3a,3,2-ef][2]ベンゾアゼピン-11-イウム
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： C32H37N[N+]O5
Molecular formula furigana： C32-H37-N2-O5
Molecular weight： 529.656
InChI： InChI=1S/C32H37N2O5/c1-38-26-13-12-22-21-33(19-16-32-15-14-23(35)20-27(32)39-29(26)28(22)32)17-8-4-2-3-5-9-18-34-30(36)24-10-6-7-11-25(24)31(34)37/h6-7,10-15,21,23,27,35H,2-5,8-9,16-20H2,1H3/q+1/t23-,27-,32-/m0/s1
InChI key： VLGAHTYYCHWLNI-BHRZLAGCSA-N
SMILES： COc1ccc2C=[N+](CCCCCCCCN3C(=O)c4ccccc4C3=O)CC[C@@]34C=C[C@H](O)C[C@@H]3Oc1c24
Systematic name  (3)：
  • (4aS,8aS)-3-メトキシ-6β-ヒドロキシ-11-[8-(1,3-ジオキソ-1,3-ジヒドロ-2H-イソインドール-2-イル)オクチル]-4aα,5,9,10-テトラヒドロ-6H-ベンゾフロ[3a,3,2-ef][2]ベンゾアゼピン-11-イウム
  • (1S,12S,14R)-4-[8-(1,3-ジオキソ-2,3-ジヒドロ-1H-イソインドール-2-イル)オクチル]-14-ヒドロキシ-9-メトキシ-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-4,6,8,10(17),15-ペンタエン-4-イウム
  • (1S,12S,14R)-4-[8-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)octyl]-14-hydroxy-9-methoxy-11-oxa-4-azatetracyclo[8.6.1.01,12.06,17]heptadeca-4,6,8,10(17),15-pentaen-4-ium
Other name (1)：
  • (4aS,8aS)-3-Methoxy-6β-hydroxy-11-[8-(1,3-dioxo-1,3-dihydro-2H-isoindole-2-yl)octyl]-4aα,5,9,10-tetrahydro-6H-benzofuro[3a,3,2-ef][2]benzazepine-11-ium
Thsaurus map：
Thesaurus Map

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