Chem
J-GLOBAL ID：200907072585792005   Nikkaji number：J2.085.187B

(3aR,4R,7R,7aS)-2,2-Dimethyl-3a-[[(4S)-2,2-dimethyl-3-(tert-butyloxycarbonyl)-4-oxazolidinyl]methyl]-7-(4-methoxybenzyloxy)-3a,4,7,7a-tetrahydro-1,3-benzodioxole-4-ol

(3aR,4R,7R,7aS)-2,2-ジメチル-3a-[[(4S)-2,2-ジメチル-3-(tert-ブチルオキシカルボニル)-4-オキサゾリジニル]メチル]-7-(4-メトキシベンジルオキシ)-3a,4,7,7a-テトラヒドロ-1,3-ベンゾジオキソール-4-オール
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： C28H41NO8
Molecular formula furigana： C28-H41-N-O8
Molecular weight： 519.635
InChI： InChI=1S/C28H41NO8/c1-25(2,3)36-24(31)29-19(17-34-26(29,4)5)15-28-22(30)14-13-21(23(28)35-27(6,7)37-28)33-16-18-9-11-20(32-8)12-10-18/h9-14,19,21-23,30H,15-17H2,1-8H3/t19-,21+,22+,23-,28+/m0/s1
InChI key： PZHDWDCAZXSFIJ-RWTSYIIASA-N
SMILES： COc1ccc(CO[C@@H]2C=C[C@@H](O)[C@@]3(C[C@H]4COC(C)(C)N4C(=O)OC(C)(C)C)OC(C)(C)O[C@@H]23)cc1
Systematic name  (3)：
  • (3aR,4R,7R,7aS)-2,2-ジメチル-3a-[[(4S)-2,2-ジメチル-3-(tert-ブチルオキシカルボニル)-4-オキサゾリジニル]メチル]-7-(4-メトキシベンジルオキシ)-3a,4,7,7a-テトラヒドロ-1,3-ベンゾジオキソール-4-オール
  • tert-ブチル (4S)-4-{[(3aR,4R,7R,7aS)-4-ヒドロキシ-7-[(4-メトキシフェニル)メトキシ]-2,2-ジメチル-3a,4,7,7a-テトラヒドロ-2H-1,3-ベンゾジオキソール-3a-イル]メチル}-2,2-ジメチル-1,3-オキサゾリジン-3-カルボキシラート
  • tert-butyl (4S)-4-{[(3aR,4R,7R,7aS)-4-hydroxy-7-[(4-methoxyphenyl)methoxy]-2,2-dimethyl-3a,4,7,7a-tetrahydro-2H-1,3-benzodioxol-3a-yl]methyl}-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
Other name (1)：
  • (3aR,4R,7R,7aS)-2,2-Dimethyl-3a-[[(4S)-2,2-dimethyl-3-(tert-butyloxycarbonyl)-4-oxazolidinyl]methyl]-7-(4-methoxybenzyloxy)-3a,4,7,7a-tetrahydro-1,3-benzodioxole-4-ol
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