Chem
J-GLOBAL ID：200907093018525885
Nikkaji number：J2.176.839A
(3aS)-2,8-Dibenzyl-5-phenyl-6β,10β-etheno-1,2,3,3aα,4,6,6aα,7,8,9,9aα,10,10aα,10bα-tetradecahydroisoindolo[5,6-e]isoindole-1,3,7,9-tetrone
(3aS)-2,8-ジベンジル-5-フェニル-6β,10β-エテノ-1,2,3,3aα,4,6,6aα,7,8,9,9aα,10,10aα,10bα-テトラデカヒドロイソインドロ[5,6-e]イソインドール-1,3,7,9-テトラオン
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
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
Molecular formula： C36H30N2O4
Molecular formula furigana： C36-H30-N2-O4
Molecular weight： 554.646
InChI：
InChI=1S/C36H30N2O4/c39-33-27-18-26(23-14-8-3-9-15-23)28-24-16-17-25(29(28)32(27)36(42)37(33)19-21-10-4-1-5-11-21)31-30(24)34(40)38(35(31)41)20-22-12-6-2-7-13-22/h1-17,24-25,27,29-32H,18-20H2/t24-,25+,27+,29-,30-,31+,32+/m1/s1
InChI key：
MCHRPHYSAYLRFZ-PRZJEEDWSA-N
SMILES：
O=C1[C@H]2CC(=C3[C@H]4C=C[C@H]([C@H]5[C@@H]4C(=O)N(Cc4ccccc4)C5=O)[C@H]3[C@H]2C(=O)N1Cc1ccccc1)c1ccccc1
Systematic name (3)：
- (3aS)-2,8-ジベンジル-5-フェニル-6β,10β-エテノ-1,2,3,3aα,4,6,6aα,7,8,9,9aα,10,10aα,10bα-テトラデカヒドロイソインドロ[5,6-e]イソインドール-1,3,7,9-テトラオン
- (1S,2S,3R,7S,11S,12R,16S)-5,14-ジベンジル-9-フェニル-5,14-ジアザペンタシクロ[9.5.2.02,10.03,7.012,16]オクタデカ-9,17-ジエン-4,6,13,15-テトラオン
- (1S,2S,3R,7S,11S,12R,16S)-5,14-dibenzyl-9-phenyl-5,14-diazapentacyclo[9.5.2.02,10.03,7.012,16]octadeca-9,17-diene-4,6,13,15-tetrone
- (3aS)-2,8-Dibenzyl-5-phenyl-6β,10β-etheno-1,2,3,3aα,4,6,6aα,7,8,9,9aα,10,10aα,10bα-tetradecahydroisoindolo[5,6-e]isoindole-1,3,7,9-tetrone
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