Chem
J-GLOBAL ID：200907068648203040   Nikkaji number：J2.685.895J

1-O,6-O-Dibenzoyl-2-O-[(2S,3S)-2,3-[isopropylidenebis(oxy)]-4-(benzyloxy)butyl]-3-O,4-O-isopropylidene-β-D-psicofuranose

1-O,6-O-ジベンゾイル-2-O-[(2S,3S)-2,3-[イソプロピリデンビス(オキシ)]-4-(ベンジルオキシ)ブチル]-3-O,4-O-イソプロピリデン-β-D-プシコフラノース
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： C37H42O11
Molecular formula furigana： C37-H42-O11
Molecular weight： 662.732
InChI： InChI=1S/C37H42O11/c1-35(2)44-28(21-40-20-25-14-8-5-9-15-25)29(45-35)23-43-37(24-42-34(39)27-18-12-7-13-19-27)32-31(47-36(3,4)48-32)30(46-37)22-41-33(38)26-16-10-6-11-17-26/h5-19,28-32H,20-24H2,1-4H3/t28-,29-,30+,31+,32+,37+/m0/s1
InChI key： PXQRJKVSKBEQDP-PBLYIVSGSA-N
SMILES： CC1(C)O[C@@H](COCc2ccccc2)[C@H](CO[C@]2(COC(=O)c3ccccc3)O[C@H](COC(=O)c3ccccc3)[C@H]3OC(C)(C)O[C@@H]23)O1
Systematic name  (3)：
  • 1-O,6-O-ジベンゾイル-2-O-[(2S,3S)-2,3-[イソプロピリデンビス(オキシ)]-4-(ベンジルオキシ)ブチル]-3-O,4-O-イソプロピリデン-β-D-プシコフラノース
  • [(3aR,4R,6R,6aR)-6-[(ベンゾイルオキシ)メチル]-4-{[(4S,5S)-5-[(ベンジルオキシ)メチル]-2,2-ジメチル-1,3-ジオキソラン-4-イル]メトキシ}-2,2-ジメチル-テトラヒドロ-2H-フロ[3,4-d][1,3]ジオキソール-4-イル]メチル ベンゾアート
  • [(3aR,4R,6R,6aR)-6-[(benzoyloxy)methyl]-4-{[(4S,5S)-5-[(benzyloxy)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy}-2,2-dimethyl-tetrahydro-2H-furo[3,4-d][1,3]dioxol-4-yl]methyl benzoate
Other name (1)：
  • 1-O,6-O-Dibenzoyl-2-O-[(2S,3S)-2,3-[isopropylidenebis(oxy)]-4-(benzyloxy)butyl]-3-O,4-O-isopropylidene-β-D-psicofuranose
Thsaurus map：
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