Chem
J-GLOBAL ID:200907017707982799   Nikkaji number:J1.100.059B

2,3,3aα,4,5,6-Hexahydro-2β-(trimethylsilyl)-4α-(benzoyloxy)-6α-butoxyisoxazolo[2,3-b][1,2]oxazine-3α-carboxylic acid methyl ester

2,3,3aα,4,5,6-ヘキサヒドロ-2β-(トリメチルシリル)-4α-(ベンゾイルオキシ)-6α-ブトキシイソオキサゾロ[2,3-b][1,2]オキサジン-3α-カルボン酸メチル
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: C22H33NO7Si
Molecular formula furigana: C22-H33-N-O7-SI
Molecular weight: 451.591
InChI: InChI=1S/C22H33NO7Si/c1-6-7-13-27-17-14-16(28-20(24)15-11-9-8-10-12-15)19-18(21(25)26-2)22(31(3,4)5)30-23(19)29-17/h8-12,16-19,22H,6-7,13-14H2,1-5H3/t16-,17-,18+,19-,22+/m1/s1
InChI key: FKWCKBPDTBORFL-MRSOFBGISA-N
SMILES: CCCCO[C@H]1C[C@@H](OC(=O)c2ccccc2)[C@@H]2[C@H]([C@@H](ON2O1)[Si](C)(C)C)C(=O)OC
Systematic name  (3):
  • 2,3,3aα,4,5,6-ヘキサヒドロ-2β-(トリメチルシリル)-4α-(ベンゾイルオキシ)-6α-ブトキシイソオキサゾロ[2,3-b][1,2]オキサジン-3α-カルボン酸メチル
  • メチル (2S,3S,3aS,4R,6R)-4-(ベンゾイルオキシ)-6-ブトキシ-2-(トリメチルシリル)-ヘキサヒドロ-[1,2]オキサゾロ[2,3-b][1,2]オキサジン-3-カルボキシラート
  • methyl (2S,3S,3aS,4R,6R)-4-(benzoyloxy)-6-butoxy-2-(trimethylsilyl)-hexahydro-[1,2]oxazolo[2,3-b][1,2]oxazine-3-carboxylate
Other name (1):
  • 2,3,3aα,4,5,6-Hexahydro-2β-(trimethylsilyl)-4α-(benzoyloxy)-6α-butoxyisoxazolo[2,3-b][1,2]oxazine-3α-carboxylic acid methyl ester
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