Chem
J-GLOBAL ID：200907048551693972   Nikkaji number：J1.647.987J

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

1-O-ベンゾイル-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： C43H44O9
Molecular formula furigana： C43-H44-O9
Molecular weight： 704.816
InChI： InChI=1S/C43H44O9/c1-46-35-22-18-32(19-23-35)28-48-38-37(44)39(52-43(45)34-16-10-5-11-17-34)41(50-27-31-14-8-4-9-15-31)42(40(38)49-26-30-12-6-3-7-13-30)51-29-33-20-24-36(47-2)25-21-33/h3-25,37-42,44H,26-29H2,1-2H3/t37-,38+,39-,40-,41+,42+/m1/s1
InChI key： JQVKMGVVDCRCLU-WRRHOSNLSA-N
SMILES： COc1ccc(CO[C@H]2[C@@H](O)[C@@H](OC(=O)c3ccccc3)[C@H](OCc3ccccc3)[C@@H](OCc3ccc(OC)cc3)[C@@H]2OCc2ccccc2)cc1
Systematic name  (4)：
  • 1-O-ベンゾイル-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
  • (1R)-3α,5α-ビス(4-メトキシベンジルオキシ)-4β,6β-ビス(ベンジルオキシ)シクロヘキサン-1α,2α-ジオール1-ベンゾアート
  • (1R,2R,3S,4R,5S,6R)-2,4-ビス(ベンジルオキシ)-6-ヒドロキシ-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
  • (1R,2R,3S,4R,5S,6R)-2,4-bis(benzyloxy)-6-hydroxy-3,5-bis[(4-methoxyphenyl)methoxy]cyclohexyl benzoate
Other name (2)：
  • 1-O-Benzoyl-3-O,5-O-bis(4-methoxybenzyl)-4-O,6-O-dibenzyl-D-myo-inositol
  • (1R)-3α,5α-Bis(4-methoxybenzyloxy)-4β,6β-bis(benzyloxy)cyclohexane-1α,2α-diol 1-benzoate
Thsaurus map：
Thesaurus Map

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