Chem
J-GLOBAL ID:201707008128142758
Nikkaji number:J3.575.170J
6-O-(tert-Butyldimethylsilyl)-2-O-(2-O,4-O,6-O-triacetyl-3-O-benzyl-β-D-galactopyranosyl)-1-(isopropylthio)-1-deoxy-β-D-mannopyranose
6-O-(tert-ブチルジメチルシリル)-2-O-(2-O,4-O,6-O-トリアセチル-3-O-ベンジル-β-D-ガラクトピラノシル)-1-(イソプロピルチオ)-1-デオキシ-β-D-マンノピラノース
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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:
C34 H54 O13 SSi
Molecular formula furigana:
C34-H54-O13-S-SI
Molecular weight:
730.940
InChI:
InChI=1S/C34H54O13SSi/c1-19(2)48-33-29(27(39)26(38)24(46-33)18-42-49(9,10)34(6,7)8)47-32-31(44-22(5)37)30(41-16-23-14-12-11-13-15-23)28(43-21(4)36)25(45-32)17-40-20(3)35/h11-15,19,24-33,38-39H,16-18H2,1-10H3/t24-,25-,26-,27+,28+,29+,30+,31-,32+,33+/m1/s1
InChI key:
SWWRHGUTWKYBIW-CSTOPAQQSA-N
SMILES:
CC(C)S[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@@H]1O[C@@H]1O[C@H](COC(=O)C)[C@H](OC(=O)C)[C@H](OCc2ccccc2)[C@H]1OC(=O)C
Systematic name (3):
6-O-(tert-ブチルジメチルシリル)-2-O-(2-O,4-O,6-O-トリアセチル-3-O-ベンジル-β-D-ガラクトピラノシル)-1-(イソプロピルチオ)-1-デオキシ-β-D-マンノピラノース
[(2R,3S,4S,5R,6S)-3,5-ビス(アセチルオキシ)-4-(ベンジルオキシ)-6-{[(2S,3S,4S,5S,6R)-6-{[(tert-ブチルジメチルシリル)オキシ]メチル}-4,5-ジヒドロキシ-2-(プロパン-2-イルスルファニル)オキサン-3-イル]オキシ}オキサン-2-イル]メチル アセタート
[(2R,3S,4S,5R,6S)-3,5-bis(acetyloxy)-4-(benzyloxy)-6-{[(2S,3S,4S,5S,6R)-6-{[(tert-butyldimethylsilyl)oxy]methyl}-4,5-dihydroxy-2-(propan-2-ylsulfanyl)oxan-3-yl]oxy}oxan-2-yl]methyl acetate
Other name (1):
6-O-(tert-Butyldimethylsilyl)-2-O-(2-O,4-O,6-O-triacetyl-3-O-benzyl-β-D-galactopyranosyl)-1-(isopropylthio)-1-deoxy-β-D-mannopyranose
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