Chem
J-GLOBAL ID:200907002810703175   Nikkaji number:J2.163.396H

2-O,4-O,6-O-Tribenzyl-3-O-[1-methyl-2-O,3-O,4-O-tribenzyl-6-O-(4-methoxybenzyl)-α-D-mannopyranosyl]-D-mannonic acid 1,5-lactone

2-O,4-O,6-O-トリベンジル-3-O-[1-メチル-2-O,3-O,4-O-トリベンジル-6-O-(4-メトキシベンジル)-α-D-マンノピラノシル]-D-マンノン酸1,5-ラクトン
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: C63H66O12
Molecular formula furigana: C63-H66-O12
Molecular weight: 1015.209
InChI: InChI=1S/C63H66O12/c1-63(75-58-56(68-39-47-23-11-4-12-24-47)54(44-66-37-46-21-9-3-10-22-46)73-62(64)60(58)71-42-50-29-17-7-18-30-50)61(72-43-51-31-19-8-20-32-51)59(70-41-49-27-15-6-16-28-49)57(69-40-48-25-13-5-14-26-48)55(74-63)45-67-38-52-33-35-53(65-2)36-34-52/h3-36,54-61H,37-45H2,1-2H3/t54-,55-,56-,57-,58+,59+,60+,61+,63-/m1/s1
InChI key: IQGOUGUMLZTOBF-HTYQWZSOSA-N
SMILES: COc1ccc(COC[C@H]2O[C@](C)(O[C@H]3[C@H](OCc4ccccc4)[C@@H](COCc4ccccc4)OC(=O)[C@H]3OCc3ccccc3)[C@@H](OCc3ccccc3)[C@@H](OCc3ccccc3)[C@@H]2OCc2ccccc2)cc1
Systematic name  (3):
  • 2-O,4-O,6-O-トリベンジル-3-O-[1-メチル-2-O,3-O,4-O-トリベンジル-6-O-(4-メトキシベンジル)-α-D-マンノピラノシル]-D-マンノン酸1,5-ラクトン
  • (3S,4S,5R,6R)-3,5-ビス(ベンジルオキシ)-6-[(ベンジルオキシ)メチル]-4-{[(2R,3S,4S,5R,6R)-3,4,5-トリス(ベンジルオキシ)-6-{[(4-メトキシフェニル)メトキシ]メチル}-2-メチルオキサン-2-イル]オキシ}オキサン-2-オン
  • (3S,4S,5R,6R)-3,5-bis(benzyloxy)-6-[(benzyloxy)methyl]-4-{[(2R,3S,4S,5R,6R)-3,4,5-tris(benzyloxy)-6-{[(4-methoxyphenyl)methoxy]methyl}-2-methyloxan-2-yl]oxy}oxan-2-one
Other name (1):
  • 2-O,4-O,6-O-Tribenzyl-3-O-[1-methyl-2-O,3-O,4-O-tribenzyl-6-O-(4-methoxybenzyl)-α-D-mannopyranosyl]-D-mannonic acid 1,5-lactone
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