Chem
J-GLOBAL ID：200907056456911752   Nikkaji number：J1.647.990J

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

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： C44H48O9
Molecular formula furigana： C44-H48-O9
Molecular weight： 720.859
InChI： InChI=1S/C44H48O9/c1-46-37-22-18-35(19-23-37)29-50-42-40(49-27-33-14-8-4-9-15-33)39(45)41(53-31-48-26-32-12-6-3-7-13-32)43(44(42)52-28-34-16-10-5-11-17-34)51-30-36-20-24-38(47-2)25-21-36/h3-25,39-45H,26-31H2,1-2H3/t39-,40-,41-,42+,43-,44-/m0/s1
InChI key： PQFMBPSNWBXMKR-IVBFPXIYSA-N
SMILES： COc1ccc(CO[C@H]2[C@@H](OCOCc3ccccc3)[C@@H](O)[C@H](OCc3ccccc3)[C@@H](OCc3ccc(OC)cc3)[C@@H]2OCc2ccccc2)cc1
Systematic name  (4)：
  • 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)-2α-(ベンジルオキシメトキシ)-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-オール
  • (1S,2S,3R,4S,5R,6S)-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]シクロヘキサン-1-オール
  • (1S,2S,3R,4S,5R,6S)-2,4-bis(benzyloxy)-6-[(benzyloxy)methoxy]-3,5-bis[(4-methoxyphenyl)methoxy]cyclohexan-1-ol
Other name (2)：
  • 2-O-(Benzyloxymethyl)-3-O,5-O-bis(4-methoxybenzyl)-4-O,6-O-dibenzyl-D-myo-inositol
  • (1S)-2α-(Benzyloxymethoxy)-3α,5α-bis(4-methoxybenzyloxy)-4β,6β-bis(benzyloxy)cyclohexane-1α-ol
Thsaurus map：
Thesaurus Map

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