Chem
J-GLOBAL ID:200907099186651088
Nikkaji number:J2.019.684J
4-Methylphenyl 3-O-(tert-butyldimethylsilyl)-4-O,6-O-dibenzyl-1-thio-α-D-mannopyranoside
4-メチルフェニル3-O-(tert-ブチルジメチルシリル)-4-O,6-O-ジベンジル-1-チオ-α-D-マンノピラノシド
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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:
C33 H44 O5 SSi
Molecular formula furigana:
C33-H44-O5-S-SI
Molecular weight:
580.860
InChI:
InChI=1S/C33H44O5SSi/c1-24-17-19-27(20-18-24)39-32-29(34)31(38-40(5,6)33(2,3)4)30(36-22-26-15-11-8-12-16-26)28(37-32)23-35-21-25-13-9-7-10-14-25/h7-20,28-32,34H,21-23H2,1-6H3/t28-,29+,30-,31-,32-/m1/s1
InChI key:
BUOXDGYITHZFQK-MTJHJEBASA-N
SMILES:
Cc1ccc(S[C@H]2O[C@H](COCc3ccccc3)[C@@H](OCc3ccccc3)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]2O)cc1
Systematic name (3):
4-メチルフェニル3-O-(tert-ブチルジメチルシリル)-4-O,6-O-ジベンジル-1-チオ-α-D-マンノピラノシド
(2R,3S,4R,5R,6R)-5-(ベンジルオキシ)-6-[(ベンジルオキシ)メチル]-4-[(tert-ブチルジメチルシリル)オキシ]-2-[(4-メチルフェニル)スルファニル]オキサン-3-オール
(2R,3S,4R,5R,6R)-5-(benzyloxy)-6-[(benzyloxy)methyl]-4-[(tert-butyldimethylsilyl)oxy]-2-[(4-methylphenyl)sulfanyl]oxan-3-ol
Other name (1):
4-Methylphenyl 3-O-(tert-butyldimethylsilyl)-4-O,6-O-dibenzyl-1-thio-α-D-mannopyranoside
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