Chem
J-GLOBAL ID：200907025311387335   Nikkaji number：J1.208.694F

(3S)-3β-[[2-(1,1-Dimethyl-2-propenyl)-1H-indole-3-yl]methyl]-6-(3-methyl-2-butenyl)-2,3,4,5aα,6,10b,11,11aα-octahydro-10bα-hydroxy-1H-pyrazino[1′,2′:1,5]pyrrolo[2,3-b]indole-1,4-dione

(3S)-3β-[[2-(1,1-ジメチル-2-プロペニル)-1H-インドール-3-イル]メチル]-6-(3-メチル-2-ブテニル)-2,3,4,5aα,6,10b,11,11aα-オクタヒドロ-10bα-ヒドロキシ-1H-ピラジノ[1′,2′:1,5]ピロロ[2,3-b]インドール-1,4-ジオン
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： C32H36N4O3
Molecular formula furigana： C32-H36-N4-O3
Molecular weight： 524.665
InChI： InChI=1S/C32H36N4O3/c1-6-31(4,5)27-21(20-11-7-9-13-23(20)33-27)17-24-29(38)36-26(28(37)34-24)18-32(39)22-12-8-10-14-25(22)35(30(32)36)16-15-19(2)3/h6-15,24,26,30,33,39H,1,16-18H2,2-5H3,(H,34,37)/t24-,26-,30+,32-/m0/s1
InChI key： KESCEDMDMWZDKC-RCSBEMJNSA-N
SMILES： CC(=CCN1[C@@H]2N3[C@@H](C[C@]2(O)c2ccccc12)C(=O)N[C@@H](Cc1c([nH]c2ccccc12)C(C)(C)C=C)C3=O)C
Systematic name  (3)：
  • (3S)-3β-[[2-(1,1-ジメチル-2-プロペニル)-1H-インドール-3-イル]メチル]-6-(3-メチル-2-ブテニル)-2,3,4,5aα,6,10b,11,11aα-オクタヒドロ-10bα-ヒドロキシ-1H-ピラジノ[1′,2′:1,5]ピロロ[2,3-b]インドール-1,4-ジオン
  • (1R,4S,7S,9S)-9-ヒドロキシ-16-(3-メチルブタ-2-エン-1-イル)-4-{[2-(2-メチルブタ-3-エン-2-イル)-1H-インドール-3-イル]メチル}-2,5,16-トリアザテトラシクロ[7.7.0.02,7.010,15]ヘキサデカ-10,12,14-トリエン-3,6-ジオン
  • (1R,4S,7S,9S)-9-hydroxy-16-(3-methylbut-2-en-1-yl)-4-{[2-(2-methylbut-3-en-2-yl)-1H-indol-3-yl]methyl}-2,5,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-10,12,14-triene-3,6-dione
Other name (1)：
  • (3S)-3β-[[2-(1,1-Dimethyl-2-propenyl)-1H-indole-3-yl]methyl]-6-(3-methyl-2-butenyl)-2,3,4,5aα,6,10b,11,11aα-octahydro-10bα-hydroxy-1H-pyrazino[1′,2′:1,5]pyrrolo[2,3-b]indole-1,4-dione
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