Chem
J-GLOBAL ID：200907055553286246   Nikkaji number：J1.893.057I

1-O-Methyl-4-O-(2-O-benzoyl-3-O-allyl-4-O,6-O-benzylidene-α-D-galactopyranosyl)-β-D-xylopyranose 2,3-dibenzoate

1-O-メチル-4-O-(2-O-ベンゾイル-3-O-アリル-4-O,6-O-ベンジリデン-α-D-ガラクトピラノシル)-β-D-キシロピラノース2,3-ジベンゾアート
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： C43H42O13
Molecular formula furigana： C43-H42-O13
Molecular weight： 766.796
InChI： InChI=1S/C43H42O13/c1-3-24-48-35-33-31(25-49-41(56-33)30-22-14-7-15-23-30)51-43(37(35)55-40(46)29-20-12-6-13-21-29)52-32-26-50-42(47-2)36(54-39(45)28-18-10-5-11-19-28)34(32)53-38(44)27-16-8-4-9-17-27/h3-23,31-37,41-43H,1,24-26H2,2H3/t31-,32-,33+,34+,35+,36-,37-,41?,42-,43-/m1/s1
InChI key： NKEXFSOWLATNEN-CXMUWWBLSA-N
SMILES： CO[C@@H]1OC[C@@H](O[C@H]2O[C@@H]3COC(O[C@@H]3[C@H](OCC=C)[C@H]2OC(=O)c2ccccc2)c2ccccc2)[C@H](OC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1
Systematic name  (3)：
  • 1-O-メチル-4-O-(2-O-ベンゾイル-3-O-アリル-4-O,6-O-ベンジリデン-α-D-ガラクトピラノシル)-β-D-キシロピラノース2,3-ジベンゾアート
  • (4aR,6R,7R,8S,8aS)-6-{[(3R,4S,5R,6R)-4,5-ビス(ベンゾイルオキシ)-6-メトキシオキサン-3-イル]オキシ}-2-フェニル-8-(プロパ-2-エン-1-イルオキシ)-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,6R,7R,8S,8aS)-6-{[(3R,4S,5R,6R)-4,5-bis(benzoyloxy)-6-methoxyoxan-3-yl]oxy}-2-phenyl-8-(prop-2-en-1-yloxy)-hexahydro-2H-pyrano[3,2-d][1,3]dioxin-7-yl benzoate
Other name (1)：
  • 1-O-Methyl-4-O-(2-O-benzoyl-3-O-allyl-4-O,6-O-benzylidene-α-D-galactopyranosyl)-β-D-xylopyranose 2,3-dibenzoate
Thsaurus map：
Thesaurus Map

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