Chem
J-GLOBAL ID：200907081412308751   Nikkaji number：J1.785.985D

6-O,6-O′-(Oxybisethylene)[1-O,1-O′-(1,3-phenylenebismethylene)bis(2-O,3-O,4-O-triacetyl-β-D-galactopyranose)]

6-O,6-O′-(オキシビスエチレン)[1-O,1-O′-(1,3-フェニレンビスメチレン)ビス(2-O,3-O,4-O-トリアセチル-β-D-ガラクトピラノース)]
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： C36H48O19
Molecular formula furigana： C36-H48-O19
Molecular weight： 784.761
InChI： InChI=1S/C36H48O19/c1-19(37)48-29-27-17-44-12-10-43-11-13-45-18-28-30(49-20(2)38)32(51-22(4)40)34(53-24(6)42)36(55-28)47-16-26-9-7-8-25(14-26)15-46-35(54-27)33(52-23(5)41)31(29)50-21(3)39/h7-9,14,27-36H,10-13,15-18H2,1-6H3/t27-,28-,29+,30+,31+,32+,33-,34-,35-,36-/m1/s1
InChI key： MRBJBLVBGAVVLX-NJXRGNBFSA-N
SMILES： CC(=O)O[C@H]1[C@H]2COCCOCCOC[C@H]3O[C@@H](OCc4cccc(CO[C@H](O2)[C@H](OC(=O)C)[C@H]1OC(=O)C)c4)[C@H](OC(=O)C)[C@@H](OC(=O)C)[C@H]3OC(=O)C
Systematic name  (3)：
  • 6-O,6-O′-(オキシビスエチレン)[1-O,1-O′-(1,3-フェニレンビスメチレン)ビス(2-O,3-O,4-O-トリアセチル-β-D-ガラクトピラノース)]
  • (1R,11R,12R,13S,14S,15R,25R,26S,27S,28R)-13,14,26,27,28-ペンタキス(アセチルオキシ)-2,10,17,20,23,29,30-ヘプタオキサテトラシクロ[23.3.1.14,8.111,15]ヘントリアコンタ-4,6,8(31)-トリエン-12-イル アセタート
  • (1R,11R,12R,13S,14S,15R,25R,26S,27S,28R)-13,14,26,27,28-pentakis(acetyloxy)-2,10,17,20,23,29,30-heptaoxatetracyclo[23.3.1.14,8.111,15]hentriaconta-4,6,8(31)-trien-12-yl acetate
Other name (1)：
  • 6-O,6-O′-(Oxybisethylene)[1-O,1-O′-(1,3-phenylenebismethylene)bis(2-O,3-O,4-O-triacetyl-β-D-galactopyranose)]
Thsaurus map：
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