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LMD

概要
表記:tetradecyl 4-O-alpha-D-glucopyranosyl-beta-D-glucopyranoside
別名:n-Tetradecyl-b-D-maltopyranosid
組成式:C26 H50 O11
電荷:0
化学式量:538.669 Da
分子種別:NON-POLYMER

化合物名

プログラムバージョン表記
ACDLabs12.01tetradecyl 4-O-alpha-D-glucopyranosyl-beta-D-glucopyranoside
OpenEye OEToolkits1.7.6(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(2R,3S,4R,5R,6R)-2-(hydroxymethyl)-4,5-bis(oxidanyl)-6-tetradecoxy-oxan-3-yl]oxy-oxane-3,4,5-triol

化合物記述子(線形表記)

種別プログラムバージョン表記
SMILESACDLabs12.01O(CCCCCCCCCCCCCC)C2OC(C(OC1OC(CO)C(O)C(O)C1O)C(O)C2O)CO
InChIInChI1.03InChI=1S/C26H50O11/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-34-25-23(33)21(31)24(18(16-28)36-25)37-26-22(32)20(30)19(29)17(15-27)35-26/h17-33H,2-16H2,1H3/t17-,18-,19-,20+,21-,22-,23-,24-,25-,26-/m1/s1
InChIKeyInChI1.03UKPROSIGWJBJGA-IWODYCRQSA-N
SMILES_CANONICALCACTVS3.370CCCCCCCCCCCCCCO[C@@H]1O[C@H](CO)[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O
SMILESCACTVS3.370CCCCCCCCCCCCCCO[CH]1O[CH](CO)[CH](O[CH]2O[CH](CO)[CH](O)[CH](O)[CH]2O)[CH](O)[CH]1O
SMILES_CANONICALOpenEye OEToolkits1.7.6CCCCCCCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O
SMILESOpenEye OEToolkits1.7.6CCCCCCCCCCCCCCOC1C(C(C(C(O1)CO)OC2C(C(C(C(O2)CO)O)O)O)O)O

229380

件を2024-12-25に公開中

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