Chem
J-GLOBAL ID：200907084726207002   Nikkaji number：J1.647.989F

1-O-Benzoyl-2-O-(benzyloxymethyl)-3-O,5-O-bis(4-methoxybenzyl)-4-O,6-O-dibenzyl-D-myo-inositol

1-O-ベンゾイル-2-O-(ベンジルオキシメチル)-3-O,5-O-ビス(4-メトキシベンジル)-4-O,6-O-ジベンジル-D-myo-イノシトール
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： C51H52O10
Molecular formula furigana： C51-H52-O10
Molecular weight： 824.967
InChI： InChI=1S/C51H52O10/c1-53-43-27-23-40(24-28-43)34-57-46-45(56-32-38-17-9-4-10-18-38)47(58-35-41-25-29-44(54-2)30-26-41)49(60-36-55-31-37-15-7-3-8-16-37)50(61-51(52)42-21-13-6-14-22-42)48(46)59-33-39-19-11-5-12-20-39/h3-30,45-50H,31-36H2,1-2H3/t45-,46-,47+,48+,49+,50-/m0/s1
InChI key： UDAMCDJWGPFVSA-AJJJIQFGSA-N
SMILES： COc1ccc(CO[C@H]2[C@@H](OCOCc3ccccc3)[C@@H](OC(=O)c3ccccc3)[C@H](OCc3ccccc3)[C@@H](OCc3ccc(OC)cc3)[C@@H]2OCc2ccccc2)cc1
Systematic name  (3)：
  • 1-O-ベンゾイル-2-O-(ベンジルオキシメチル)-3-O,5-O-ビス(4-メトキシベンジル)-4-O,6-O-ジベンジル-D-myo-イノシトール
  • (1S,2R,3S,4S,5R,6R)-2,4-ビス(ベンジルオキシ)-6-[(ベンジルオキシ)メトキシ]-3,5-ビス[(4-メトキシフェニル)メトキシ]シクロヘキシル ベンゾアート
  • (1S,2R,3S,4S,5R,6R)-2,4-bis(benzyloxy)-6-[(benzyloxy)methoxy]-3,5-bis[(4-methoxyphenyl)methoxy]cyclohexyl benzoate
Other name (1)：
  • 1-O-Benzoyl-2-O-(benzyloxymethyl)-3-O,5-O-bis(4-methoxybenzyl)-4-O,6-O-dibenzyl-D-myo-inositol
Thsaurus map：
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