Chem
J-GLOBAL ID:200907043863021201   Nikkaji number:J2.232.382B

(1R)-1β-(Phenylthio)-2-(tert-butoxycarbonyl)-3β-[3-(triisopropylsiloxy)-2-propenyl]-6β-(benzyloxymethyl)-7-(benzyloxy)-8,10-dimethoxy-9-methyl-1,2,3,4,11,11aα-hexahydro-6H-pyrazino[1,2-b]isoquinoline-4-one

(1R)-1β-(フェニルチオ)-2-(tert-ブトキシカルボニル)-3β-[3-(トリイソプロピルシロキシ)-2-プロペニル]-6β-(ベンジルオキシメチル)-7-(ベンジルオキシ)-8,10-ジメトキシ-9-メチル-1,2,3,4,11,11aα-ヘキサヒドロ-6H-ピラジノ[1,2-b]イソキノリン-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: C53H70N2O8SSi
Molecular formula furigana: C53-H70-N2-O8-S-SI
Molecular weight: 923.290
InChI: InChI=1S/C53H70N2O8SSi/c1-35(2)65(36(3)4,37(5)6)62-30-22-29-43-50(56)54-44(51(64-41-27-20-15-21-28-41)55(43)52(57)63-53(8,9)10)31-42-46(45(54)34-60-32-39-23-16-13-17-24-39)49(48(59-12)38(7)47(42)58-11)61-33-40-25-18-14-19-26-40/h13-28,30,35-37,43-45,51H,29,31-34H2,1-12H3/t43-,44-,45-,51+/m0/s1
InChI key: BHWZXIQMBYBGDN-PJINAZHGSA-N
SMILES: COc1c(C)c(OC)c(OCc2ccccc2)c2[C@H](COCc3ccccc3)N3[C@@H](Cc12)[C@@H](Sc1ccccc1)N([C@@H](CC=CO[Si](C(C)C)(C(C)C)C(C)C)C3=O)C(=O)OC(C)(C)C
Systematic name  (3):
  • (1R)-1β-(フェニルチオ)-2-(tert-ブトキシカルボニル)-3β-[3-(トリイソプロピルシロキシ)-2-プロペニル]-6β-(ベンジルオキシメチル)-7-(ベンジルオキシ)-8,10-ジメトキシ-9-メチル-1,2,3,4,11,11aα-ヘキサヒドロ-6H-ピラジノ[1,2-b]イソキノリン-4-オン
  • tert-ブチル (1R,3S,6R,11aS)-7-(ベンジルオキシ)-6-[(ベンジルオキシ)メチル]-8,10-ジメトキシ-9-メチル-4-オキソ-1-(フェニルスルファニル)-3-(3-{[トリス(プロパン-2-イル)シリル]オキシ}プロパ-2-エン-1-イル)-1H,2H,3H,4H,6H,11H,11aH-ピラジノ[1,2-b]イソキノリン-2-カルボキシラート
  • tert-butyl (1R,3S,6R,11aS)-7-(benzyloxy)-6-[(benzyloxy)methyl]-8,10-dimethoxy-9-methyl-4-oxo-1-(phenylsulfanyl)-3-(3-{[tris(propan-2-yl)silyl]oxy}prop-2-en-1-yl)-1H,2H,3H,4H,6H,11H,11aH-pyrazino[1,2-b]isoquinoline-2-carboxylate
Other name (1):
  • (1R)-1β-(Phenylthio)-2-(tert-butoxycarbonyl)-3β-[3-(triisopropylsiloxy)-2-propenyl]-6β-(benzyloxymethyl)-7-(benzyloxy)-8,10-dimethoxy-9-methyl-1,2,3,4,11,11aα-hexahydro-6H-pyrazino[1,2-b]isoquinoline-4-one
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