Chem
J-GLOBAL ID:200907025340579405   Nikkaji number:J1.277.201G

1-[[2-O,6-O-Dimethyl-3-O-[2-O,3-O,4-O,6-O-tetramethyl-1-(sulfonatomethyl)-α-D-glucopyranosyl]-β-D-galactopyranosyl]oxy]-2-(α-L-fucopyranosyloxy)ethane

1-[[2-O,6-O-ジメチル-3-O-[2-O,3-O,4-O,6-O-テトラメチル-1-(スルホナトメチル)-α-D-グルコピラノシル]-β-D-ガラクトピラノシル]オキシ]-2-(α-L-フコピラノシルオキシ)エタン
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: C27H49O18[O-]S
Molecular formula furigana: C27-H49-O19-S
Molecular weight: 709.730
InChI: InChI=1S/C27H50O19S/c1-13-16(28)18(30)19(31)25(43-13)41-8-9-42-26-23(39-6)21(17(29)14(44-26)10-35-2)46-27(12-47(32,33)34)24(40-7)22(38-5)20(37-4)15(45-27)11-36-3/h13-26,28-31H,8-12H2,1-7H3,(H,32,33,34)/p-1/t13-,14+,15+,16+,17-,18+,19-,20+,21-,22-,23+,24+,25+,26+,27+/m0/s1
InChI key: IGZDGQZXZHHKMG-SIJCXBTNSA-M
SMILES: COC[C@H]1O[C@@H](OCCO[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)[C@H](OC)[C@@H](O[C@@]2(CS(=O)(=O)[O-])O[C@H](COC)[C@@H](OC)[C@H](OC)[C@H]2OC)[C@H]1O
Systematic name  (3):
  • 1-[[2-O,6-O-ジメチル-3-O-[2-O,3-O,4-O,6-O-テトラメチル-1-(スルホナトメチル)-α-D-グルコピラノシル]-β-D-ガラクトピラノシル]オキシ]-2-(α-L-フコピラノシルオキシ)エタン
  • [(2S,3R,4S,5R,6R)-2-{[(2R,3S,4S,5R,6R)-3-ヒドロキシ-5-メトキシ-2-(メトキシメチル)-6-(2-{[(2R,3S,4R,5S,6S)-3,4,5-トリヒドロキシ-6-メチルオキサン-2-イル]オキシ}エトキシ)オキサン-4-イル]オキシ}-3,4,5-トリメトキシ-6-(メトキシメチル)オキサン-2-イル]メタンスルホナート
  • [(2S,3R,4S,5R,6R)-2-{[(2R,3S,4S,5R,6R)-3-hydroxy-5-methoxy-2-(methoxymethyl)-6-(2-{[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}ethoxy)oxan-4-yl]oxy}-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]methanesulfonate
Other name (1):
  • 1-[[2-O,6-O-Dimethyl-3-O-[2-O,3-O,4-O,6-O-tetramethyl-1-(sulfonatomethyl)-α-D-glucopyranosyl]-β-D-galactopyranosyl]oxy]-2-(α-L-fucopyranosyloxy)ethane
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