Chem
J-GLOBAL ID：200907000729307670   Nikkaji number：J1.209.271G

Hexakis(2-O,6-O-dimethyl)-α-cyclodextrin

ヘキサキス(2-O,6-O-ジメチル)-α-シクロデキストリン
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： C48H84O30
Molecular formula furigana： C48-H84-O30
Molecular weight： 1141.170
InChI： InChI=1S/C48H84O30/c1-55-13-19-31-25(49)37(61-7)43(67-19)74-32-20(14-56-2)69-45(39(63-9)26(32)50)76-34-22(16-58-4)71-47(41(65-11)28(34)52)78-36-24(18-60-6)72-48(42(66-12)30(36)54)77-35-23(17-59-5)70-46(40(64-10)29(35)53)75-33-21(15-57-3)68-44(73-31)38(62-8)27(33)51/h19-54H,13-18H2,1-12H3/t19-,20-,21-,22-,23-,24-,25+,26+,27+,28+,29+,30+,31-,32-,33-,34-,35-,36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,47-,48-/m1/s1
InChI key： GTXJHJOCVPTNTP-MLJFYOOPSA-N
SMILES： COC[C@H]1O[C@@H]2O[C@@H]3[C@@H](COC)O[C@H](O[C@@H]4[C@@H](COC)O[C@H](O[C@@H]5[C@@H](COC)O[C@H](O[C@@H]6[C@@H](COC)O[C@H](O[C@@H]7[C@@H](COC)O[C@H](O[C@H]1[C@H](O)[C@H]2OC)[C@H](OC)[C@H]7O)[C@H](OC)[C@H]6O)[C@H](OC)[C@H]5O)[C@H](OC)[C@H]4O)[C@H](OC)[C@H]3O
Systematic name  (3)：
  • 1-O,4-[(2-O,6-O-ジメチル-4-デオキシ-α-D-グルコピラノース-4,1-O-ジイル)(2-O,6-O-ジメチル-4-デオキシ-α-D-グルコピラノース-4,1-O-ジイル)(2-O,6-O-ジメチル-4-デオキシ-α-D-グルコピラノース-4,1-O-ジイル)(2-O,6-O-ジメチル-4-デオキシ-α-D-グルコピラノース-4,1-O-ジイル)(2-O,6-O-ジメチル-4-デオキシ-α-D-グルコピラノース-4,1-O-ジイル)]-2-O,6-O-ジメチル-4-デオキシ-α-D-グルコピラノース
  • (1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23R,25R,26S,28R,30R,31S,32R,33S,34R,35S,36R,37S,38R,39S,40R,41S,42R)-32,34,36,38,40,42-ヘキサメトキシ-5,10,15,20,25,30-ヘキサキス(メトキシメチル)-2,4,7,9,12,14,17,19,22,24,27,29-ドデカオキサヘプタシクロ[26.2.2.23,6.28,11.213,16.218,21.223,26]ドテトラコンタン-31,33,35,37,39,41-ヘキサオール
  • (1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23R,25R,26S,28R,30R,31S,32R,33S,34R,35S,36R,37S,38R,39S,40R,41S,42R)-32,34,36,38,40,42-hexamethoxy-5,10,15,20,25,30-hexakis(methoxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29-dodecaoxaheptacyclo[26.2.2.23,6.28,11.213,16.218,21.223,26]dotetracontane-31,33,35,37,39,41-hexol
Other name (3)：
  • 1-O,4-[(2-O,6-O-Dimethyl-4-deoxy-α-D-glucopyranose-4,1-O-diyl)(2-O,6-O-dimethyl-4-deoxy-α-D-glucopyranose-4,1-O-diyl)(2-O,6-O-dimethyl-4-deoxy-α-D-glucopyranose-4,1-O-diyl)(2-O,6-O-dimethyl-4-deoxy-α-D-glucopyranose-4,1-O-diyl)(2-O,6-O-dimethyl-4-deoxy-α-D-glucopyranose-4,1-O-diyl)]-2-O,6-O-dimethyl-4-deoxy-α-D-glucopyranose
  • ヘキサキス(2-O,6-O-ジメチル)-α-シクロデキストリン
  • Hexakis(2-O,6-O-dimethyl)-α-cyclodextrin
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