Chem
J-GLOBAL ID:200907052776365300   Nikkaji number:J2.112.475C

Methyl 3-O-(2-O,3-O,4-O,6-O,7-O-pentaacetyl-α-L-glycero-D-manno-heptopyranosyl)-2-O-acetyl-6-O-(tert-butyldiphenylsilyl)-α-D-mannopyranoside

メチル3-O-(2-O,3-O,4-O,6-O,7-O-ペンタアセチル-α-L-glycero-D-manno-ヘプトピラノシル)-2-O-アセチル-6-O-(tert-ブチルジフェニルシリル)-α-D-マンノピラノシド
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: C42H56O18Si
Molecular formula furigana: C42-H56-O18-SI
Molecular weight: 876.977
InChI: InChI=1S/C42H56O18Si/c1-23(43)51-21-32(53-24(2)44)34-36(54-25(3)45)37(55-26(4)46)39(57-28(6)48)41(59-34)60-35-33(49)31(58-40(50-10)38(35)56-27(5)47)22-52-61(42(7,8)9,29-17-13-11-14-18-29)30-19-15-12-16-20-30/h11-20,31-41,49H,21-22H2,1-10H3/t31-,32+,33-,34-,35+,36-,37+,38+,39+,40+,41-/m1/s1
InChI key: HGXNZXLZSSYYAQ-KUUXEGMJSA-N
SMILES: CO[C@H]1O[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@@H](O)[C@H](O[C@H]2O[C@H]([C@H](COC(=O)C)OC(=O)C)[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@@H]2OC(=O)C)[C@@H]1OC(=O)C
Systematic name  (3):
  • メチル3-O-(2-O,3-O,4-O,6-O,7-O-ペンタアセチル-α-L-glycero-D-manno-ヘプトピラノシル)-2-O-アセチル-6-O-(tert-ブチルジフェニルシリル)-α-D-マンノピラノシド
  • (1S)-2-(アセチルオキシ)-1-[(2R,3R,4S,5S,6R)-3,4,5-トリス(アセチルオキシ)-6-{[(2S,3S,4S,5R,6R)-3-(アセチルオキシ)-6-{[(tert-ブチルジフェニルシリル)オキシ]メチル}-5-ヒドロキシ-2-メトキシオキサン-4-イル]オキシ}オキサン-2-イル]エチル アセタート
  • (1S)-2-(acetyloxy)-1-[(2R,3R,4S,5S,6R)-3,4,5-tris(acetyloxy)-6-{[(2S,3S,4S,5R,6R)-3-(acetyloxy)-6-{[(tert-butyldiphenylsilyl)oxy]methyl}-5-hydroxy-2-methoxyoxan-4-yl]oxy}oxan-2-yl]ethyl acetate
Other name (1):
  • Methyl 3-O-(2-O,3-O,4-O,6-O,7-O-pentaacetyl-α-L-glycero-D-manno-heptopyranosyl)-2-O-acetyl-6-O-(tert-butyldiphenylsilyl)-α-D-mannopyranoside
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