Chem
J-GLOBAL ID：200907065277667392   Nikkaji number：J2.085.183J

(4S,5S)-2,2-Dimethyl-4-[(R)-[(4R)-2,2-dimethyl-3-(tert-butyloxycarbonyl)-4-oxazolidinyl]hydroxymethyl]-5-[(1R)-1-(4-methoxybenzyloxy)-2-propenyl]-1,3-dioxolane-4-carboxylic acid methyl ester

(4S,5S)-2,2-ジメチル-4-[(R)-[(4R)-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]ヒドロキシメチル]-5-[(1R)-1-(4-メトキシベンジルオキシ)-2-プロペニル]-1,3-ジオキソラン-4-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： C29H43NO10
Molecular formula furigana： C29-H43-N-O10
Molecular weight： 565.660
InChI： InChI=1S/C29H43NO10/c1-11-21(36-16-18-12-14-19(34-9)15-13-18)23-29(24(32)35-10,40-28(7,8)38-23)22(31)20-17-37-27(5,6)30(20)25(33)39-26(2,3)4/h11-15,20-23,31H,1,16-17H2,2-10H3/t20-,21-,22-,23+,29+/m1/s1
InChI key： CCLIADPJHVQABS-ZFLLLYJLSA-N
SMILES： COC(=O)[C@]1(OC(C)(C)O[C@H]1[C@H](OCc1ccc(OC)cc1)C=C)[C@H](O)[C@H]1COC(C)(C)N1C(=O)OC(C)(C)C
Systematic name  (3)：
  • (4S,5S)-2,2-ジメチル-4-[(R)-[(4R)-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]ヒドロキシメチル]-5-[(1R)-1-(4-メトキシベンジルオキシ)-2-プロペニル]-1,3-ジオキソラン-4-カルボン酸メチル
  • tert-ブチル (4R)-4-[(R)-ヒドロキシ[(4S,5S)-4-(メトキシカルボニル)-5-[(1R)-1-[(4-メトキシフェニル)メトキシ]プロパ-2-エン-1-イル]-2,2-ジメチル-1,3-ジオキソラン-4-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 (4R)-4-[(R)-hydroxy[(4S,5S)-4-(methoxycarbonyl)-5-[(1R)-1-[(4-methoxyphenyl)methoxy]prop-2-en-1-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
Other name (1)：
  • (4S,5S)-2,2-Dimethyl-4-[(R)-[(4R)-2,2-dimethyl-3-(tert-butyloxycarbonyl)-4-oxazolidinyl]hydroxymethyl]-5-[(1R)-1-(4-methoxybenzyloxy)-2-propenyl]-1,3-dioxolane-4-carboxylic acid methyl ester
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