Chem
J-GLOBAL ID：201807013481975047   Nikkaji number：J3.728.020H

1-Adamantyl 2-O,4-O-dibenzyl-3-O,6-O-[trimethylenebis(o-phenylenemethylene)]-α-D-glucopyranoside

1-アダマンチル2-O,4-O-ジベンジル-3-O,6-O-[トリメチレンビス(o-フェニレンメチレン)]-α-D-グルコピラノシド
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： C47H54O6
Molecular formula furigana： C47-H54-O6
Molecular weight： 714.943
InChI： InChI=1S/C47H54O6/c1-3-12-33(13-4-1)28-49-43-42-32-48-30-40-18-9-7-16-38(40)20-11-21-39-17-8-10-19-41(39)31-51-44(43)45(50-29-34-14-5-2-6-15-34)46(52-42)53-47-25-35-22-36(26-47)24-37(23-35)27-47/h1-10,12-19,35-37,42-46H,11,20-32H2/t35-,36?,37?,42-,43-,44+,45-,46-,47-/m1/s1
InChI key： LUTGXBXXQVVVON-PMSLQMSDSA-N
SMILES： C(O[C@@H]1[C@H]2COCc3ccccc3CCCc3ccccc3CO[C@@H]1[C@@H](OCc1ccccc1)[C@@H](O[C@@]13CC4C[C@@H](CC(C4)C1)C3)O2)c1ccccc1
Systematic name  (3)：
  • 1-アダマンチル2-O,4-O-ジベンジル-3-O,6-O-[トリメチレンビス(o-フェニレンメチレン)]-α-D-グルコピラノシド
  • (1S,22R,24R,25R,26R)-25,26-ビス(ベンジルオキシ)-24-[(3r)-アダマンタン-1-イルオキシ]-2,20,23-トリオキサテトラシクロ[20.3.1.04,9.013,18]ヘキサコサ-4,6,8,13,15,17-ヘキサエン
  • (1S,22R,24R,25R,26R)-25,26-bis(benzyloxy)-24-[(3r)-adamantan-1-yloxy]-2,20,23-trioxatetracyclo[20.3.1.04,9.013,18]hexacosa-4,6,8,13,15,17-hexaene
Other name (1)：
  • 1-Adamantyl 2-O,4-O-dibenzyl-3-O,6-O-[trimethylenebis(o-phenylenemethylene)]-α-D-glucopyranoside
Thsaurus map：
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