Chem
J-GLOBAL ID：200907002266539129   Nikkaji number：J1.754.577I

2-O-Benzoyl-3-O-[(S)-1-(methoxycarbonyl)-2-cyclohexylethyl]-4-O,6-O-benzylidene-D-galactopyranose

2-O-ベンゾイル-3-O-[(S)-1-(メトキシカルボニル)-2-シクロヘキシルエチル]-4-O,6-O-ベンジリデン-D-ガラクトピラノース
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： C30H36O9
Molecular formula furigana： C30-H36-O9
Molecular weight： 540.609
InChI： InChI=1S/C30H36O9/c1-34-28(32)22(17-19-11-5-2-6-12-19)36-25-24-23(18-35-30(39-24)21-15-9-4-10-16-21)37-29(33)26(25)38-27(31)20-13-7-3-8-14-20/h3-4,7-10,13-16,19,22-26,29-30,33H,2,5-6,11-12,17-18H2,1H3/t22-,23+,24-,25-,26+,29?,30?/m0/s1
InChI key： CINMRSWSLJVEAR-WVYKXDMDSA-N
SMILES： COC(=O)[C@H](CC1CCCCC1)O[C@@H]1[C@@H](OC(=O)c2ccccc2)C(O)O[C@@H]2COC(O[C@H]12)c1ccccc1
Systematic name  (3)：
  • 2-O-ベンゾイル-3-O-[(S)-1-(メトキシカルボニル)-2-シクロヘキシルエチル]-4-O,6-O-ベンジリデン-D-ガラクトピラノース
  • (4aR,7R,8S,8aS)-8-{[(2S)-3-シクロヘキシル-1-メトキシ-1-オキソプロパン-2-イル]オキシ}-6-ヒドロキシ-2-フェニル-ヘキサヒドロ-2H-ピラノ[3,2-d][1,3]ジオキシン-7-イル ベンゾアート
  • (4aR,7R,8S,8aS)-8-{[(2S)-3-cyclohexyl-1-methoxy-1-oxopropan-2-yl]oxy}-6-hydroxy-2-phenyl-hexahydro-2H-pyrano[3,2-d][1,3]dioxin-7-yl benzoate
Other name (1)：
  • 2-O-Benzoyl-3-O-[(S)-1-(methoxycarbonyl)-2-cyclohexylethyl]-4-O,6-O-benzylidene-D-galactopyranose
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