Chem
J-GLOBAL ID：200907001082750173   Nikkaji number：J1.341.048H

(8S)-1-Methoxy-3-[3-(tert-butyldimethylsiloxy)-4,4-dimethyl-10-(tert-butoxycarbonyl)-3,4-dihydro-2H,10H-[1,4]dioxepino[2,3-g]indole-8-ylmethyl]-8α-(methoxymethoxy)-10β-isopropenyl-3,4,7,8-tetrahydro-6H-3β,8aβ-ethanopyrrolo[1,2-a]pyrazine-4-one

(8S)-1-メトキシ-3-[3-(tert-ブチルジメチルシロキシ)-4,4-ジメチル-10-(tert-ブトキシカルボニル)-3,4-ジヒドロ-2H,10H-[1,4]ジオキセピノ[2,3-g]インドール-8-イルメチル]-8α-(メトキシメトキシ)-10β-イソプロペニル-3,4,7,8-テトラヒドロ-6H-3β,8aβ-エタノピロロ[1,2-a]ピラジン-4-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： C40H59N3O9Si
Molecular formula furigana： C40-H59-N3-O9-SI
Molecular weight： 754.009
InChI： InChI=1S/C40H59N3O9Si/c1-24(2)27-20-40-29(49-23-46-11)17-18-43(40)34(44)39(27,41-33(40)47-12)19-25-21-42(35(45)51-36(3,4)5)31-26(25)15-16-28-32(31)48-22-30(38(9,10)50-28)52-53(13,14)37(6,7)8/h15-16,21,27,29-30H,1,17-20,22-23H2,2-14H3/t27-,29-,30?,39-,40+/m0/s1
InChI key： ZECGVRSNTMVJHI-ZHOPEKPASA-N
SMILES： COCO[C@H]1CCN2C(=O)[C@@]3(Cc4cn(C(=O)OC(C)(C)C)c5c6OCC(O[Si](C)(C)C(C)(C)C)C(C)(C)Oc6ccc45)N=C(OC)[C@@]12C[C@H]3C(=C)C
Systematic name  (3)：
  • (8S)-1-メトキシ-3-[3-(tert-ブチルジメチルシロキシ)-4,4-ジメチル-10-(tert-ブトキシカルボニル)-3,4-ジヒドロ-2H,10H-[1,4]ジオキセピノ[2,3-g]インドール-8-イルメチル]-8α-(メトキシメトキシ)-10β-イソプロペニル-3,4,7,8-テトラヒドロ-6H-3β,8aβ-エタノピロロ[1,2-a]ピラジン-4-オン
  • tert-ブチル 3-[(tert-ブチルジメチルシリル)オキシ]-8-{[(1R,2S,7S,11S)-9-メトキシ-2-(メトキシメトキシ)-6-オキソ-11-(プロパ-1-エン-2-イル)-5,8-ジアザトリシクロ[5.2.2.01,5]ウンデカ-8-エン-7-イル]メチル}-4,4-ジメチル-2H,3H,4H,10H-[1,4]ジオキセピノ[2,3-g]インドール-10-カルボキシラート
  • tert-butyl 3-[(tert-butyldimethylsilyl)oxy]-8-{[(1R,2S,7S,11S)-9-methoxy-2-(methoxymethoxy)-6-oxo-11-(prop-1-en-2-yl)-5,8-diazatricyclo[5.2.2.01,5]undec-8-en-7-yl]methyl}-4,4-dimethyl-2H,3H,4H,10H-[1,4]dioxepino[2,3-g]indole-10-carboxylate
Other name (1)：
  • (8S)-1-Methoxy-3-[3-(tert-butyldimethylsiloxy)-4,4-dimethyl-10-(tert-butoxycarbonyl)-3,4-dihydro-2H,10H-[1,4]dioxepino[2,3-g]indole-8-ylmethyl]-8α-(methoxymethoxy)-10β-isopropenyl-3,4,7,8-tetrahydro-6H-3β,8aβ-ethanopyrrolo[1,2-a]pyrazine-4-one
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