Chem
J-GLOBAL ID:200907017094089328   Nikkaji number:J1.068.152I

1-S-(4-Methylphenyl)-2-O-(2-O,3-O,4-O-tribenzyl-α-L-fucopyranosyl)-3-O-(4-methoxybenzyl)-6-O-(tert-butyldiphenylsilyl)-1-thio-β-D-galactopyranose 4-(4-oxovalerate)

1-S-(4-メチルフェニル)-2-O-(2-O,3-O,4-O-トリベンジル-α-L-フコピラノシル)-3-O-(4-メトキシベンジル)-6-O-(tert-ブチルジフェニルシリル)-1-チオ-β-D-ガラクトピラノース4-(4-オキソバレラート)
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: C69H78O12SSi
Molecular formula furigana: C69-H78-O12-S-SI
Molecular weight: 1159.520
InChI: InChI=1S/C69H78O12SSi/c1-48-33-40-56(41-34-48)82-68-66(81-67-65(76-45-53-27-17-10-18-28-53)63(74-44-52-25-15-9-16-26-52)61(50(3)78-67)73-43-51-23-13-8-14-24-51)64(75-46-54-36-38-55(72-7)39-37-54)62(80-60(71)42-35-49(2)70)59(79-68)47-77-83(69(4,5)6,57-29-19-11-20-30-57)58-31-21-12-22-32-58/h8-34,36-41,50,59,61-68H,35,42-47H2,1-7H3/t50-,59+,61+,62-,63+,64-,65-,66+,67-,68-/m0/s1
InChI key: OSWBGXPYBCXQNQ-OZDDPCPWSA-N
SMILES: COc1ccc(CO[C@H]2[C@@H](OC(=O)CCC(=O)C)[C@@H](CO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)O[C@@H](Sc3ccc(C)cc3)[C@@H]2O[C@@H]2O[C@@H](C)[C@@H](OCc3ccccc3)[C@@H](OCc3ccccc3)[C@@H]2OCc2ccccc2)cc1
Systematic name  (3):
  • 1-S-(4-メチルフェニル)-2-O-(2-O,3-O,4-O-トリベンジル-α-L-フコピラノシル)-3-O-(4-メトキシベンジル)-6-O-(tert-ブチルジフェニルシリル)-1-チオ-β-D-ガラクトピラノース4-(4-オキソバレラート)
  • (2R,3S,4S,5R,6S)-2-{[(tert-ブチルジフェニルシリル)オキシ]メチル}-4-[(4-メトキシフェニル)メトキシ]-6-[(4-メチルフェニル)スルファニル]-5-{[(2S,3S,4R,5R,6S)-3,4,5-トリス(ベンジルオキシ)-6-メチルオキサン-2-イル]オキシ}オキサン-3-イル 4-オキソペンタノアート
  • (2R,3S,4S,5R,6S)-2-{[(tert-butyldiphenylsilyl)oxy]methyl}-4-[(4-methoxyphenyl)methoxy]-6-[(4-methylphenyl)sulfanyl]-5-{[(2S,3S,4R,5R,6S)-3,4,5-tris(benzyloxy)-6-methyloxan-2-yl]oxy}oxan-3-yl 4-oxopentanoate
Other name (1):
  • 1-S-(4-Methylphenyl)-2-O-(2-O,3-O,4-O-tribenzyl-α-L-fucopyranosyl)-3-O-(4-methoxybenzyl)-6-O-(tert-butyldiphenylsilyl)-1-thio-β-D-galactopyranose 4-(4-oxovalerate)
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