Chem
J-GLOBAL ID:201207096809568957   Nikkaji number:J3.053.163I

3aβ-[2-(Pyrene-1-yl)vinyl]-5,5-dimethyl-6β-(2-hydroxyethoxy)-3a,4,5,6-tetrahydropyrrolo[1,2-b]isoxazole-2,3-dicarboxylic acid dimethyl ester

3aβ-[2-(ピレン-1-イル)ビニル]-5,5-ジメチル-6β-(2-ヒドロキシエトキシ)-3a,4,5,6-テトラヒドロピロロ[1,2-b]イソオキサゾール-2,3-ジカルボン酸ジメチル
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: C32H31NO7
Molecular formula furigana: C32-H31-N-O7
Molecular weight: 541.600
InChI: InChI=1S/C32H31NO7/c1-31(2)18-32(26(28(35)37-3)27(29(36)38-4)40-33(32)30(31)39-17-16-34)15-14-19-8-9-22-11-10-20-6-5-7-21-12-13-23(19)25(22)24(20)21/h5-15,30,34H,16-18H2,1-4H3/t30-,32+/m1/s1
InChI key: JJABAMOYHLWIMA-BHYZAODMSA-N
SMILES: COC(=O)C1=C(C(=O)OC)[C@@]2(CC(C)(C)[C@@H](OCCO)N2O1)C=Cc1ccc2ccc3cccc4ccc1c2c34
Systematic name  (3):
  • 3aβ-[2-(ピレン-1-イル)ビニル]-5,5-ジメチル-6β-(2-ヒドロキシエトキシ)-3a,4,5,6-テトラヒドロピロロ[1,2-b]イソオキサゾール-2,3-ジカルボン酸ジメチル
  • 2,3-ジメチル (3aR,6R)-6-(2-ヒドロキシエトキシ)-5,5-ジメチル-3a-[2-(ピレン-1-イル)エテニル]-3aH,4H,5H,6H-ピロロ[1,2-b][1,2]オキサゾール-2,3-ジカルボキシラート
  • 2,3-dimethyl (3aR,6R)-6-(2-hydroxyethoxy)-5,5-dimethyl-3a-[2-(pyren-1-yl)ethenyl]-3aH,4H,5H,6H-pyrrolo[1,2-b][1,2]oxazole-2,3-dicarboxylate
Other name (1):
  • 3aβ-[2-(Pyrene-1-yl)vinyl]-5,5-dimethyl-6β-(2-hydroxyethoxy)-3a,4,5,6-tetrahydropyrrolo[1,2-b]isoxazole-2,3-dicarboxylic acid dimethyl ester
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