Chem
J-GLOBAL ID:200907010681278112   Nikkaji number:J1.345.244J

(4S,3aS,7aR)-2-(4-Methoxyphenyl)-3a,7a-dihydro-7-oxospiro[1,3-benzodioxole-4(7H),5′-isoxazolidine]-2′-ene-3′-carboxylic acid tert-butyl ester

(4S,3aS,7aR)-2-(4-メトキシフェニル)-3a,7a-ジヒドロ-7-オキソスピロ[1,3-ベンゾジオキソール-4(7H),5′-イソオキサゾリジン]-2′-エン-3′-カルボン酸tert-ブチル
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: C21H23NO7
Molecular formula furigana: C21-H23-N-O7
Molecular weight: 401.415
InChI: InChI=1S/C21H23NO7/c1-20(2,3)28-18(24)14-11-21(29-22-14)10-9-15(23)16-17(21)27-19(26-16)12-5-7-13(25-4)8-6-12/h5-10,16-17,19H,11H2,1-4H3/t16-,17-,19?,21+/m0/s1
InChI key: FCFIBBWBGLGPAB-ALYNEUIDSA-N
SMILES: COc1ccc(cc1)C1O[C@@H]2[C@H](O1)[C@]1(CC(=NO1)C(=O)OC(C)(C)C)C=CC2=O
Systematic name  (3):
  • (4S,3aS,7aR)-2-(4-メトキシフェニル)-3a,7a-ジヒドロ-7-オキソスピロ[1,3-ベンゾジオキソール-4(7H),5′-イソオキサゾリジン]-2′-エン-3′-カルボン酸tert-ブチル
  • tert-ブチル (3aS,4S,7aR)-2-(4-メトキシフェニル)-7-オキソ-2,3a,7,7a-テトラヒドロ-3'H-スピロ[1,3-ベンゾジオキソール-4,2'-[1,5]オキサゾール]-4'-カルボキシラート
  • tert-butyl (3aS,4S,7aR)-2-(4-methoxyphenyl)-7-oxo-2,3a,7,7a-tetrahydro-3'H-spiro[1,3-benzodioxole-4,2'-[1,5]oxazole]-4'-carboxylate
Other name (1):
  • (4S,3aS,7aR)-2-(4-Methoxyphenyl)-3a,7a-dihydro-7-oxospiro[1,3-benzodioxole-4(7H),5′-isoxazolidine]-2′-ene-3′-carboxylic acid tert-butyl ester
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