Chem
J-GLOBAL ID：200907065833671949   Nikkaji number：J1.008.829A

[[(1S,3aα,8aβ)-3β,8,10,10-Tetramethyl-5,6α-dihydroxydecahydro-8α,5α-(epoxymethano)azulene]-1β-yl]β-D-glucopyranoside

[[(1S,3aα,8aβ)-3β,8,10,10-テトラメチル-5,6α-ジヒドロキシデカヒドロ-8α,5α-(エポキシメタノ)アズレン]-1β-イル]β-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： C21H36O9
Molecular formula furigana： C21-H36-O9
Molecular weight： 432.510
InChI： InChI=1S/C21H36O9/c1-9-5-11(28-18-17(26)16(25)15(24)12(8-22)29-18)14-10(9)6-21(27)13(23)7-20(14,4)30-19(21,2)3/h9-18,22-27H,5-8H2,1-4H3/t9-,10-,11+,12-,13-,14+,15-,16+,17-,18-,20+,21-/m1/s1
InChI key： SPYAOTULQPJFGN-UNDJJNPKSA-N
SMILES： C[C@@H]1C[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2[C@@H]1C[C@@]1(O)[C@H](O)C[C@]2(C)OC1(C)C
Systematic name  (3)：
  • [[(1S,3aα,8aβ)-3β,8,10,10-テトラメチル-5,6α-ジヒドロキシデカヒドロ-8α,5α-(エポキシメタノ)アズレン]-1β-イル]β-D-グルコピラノシド
  • (2R,3R,4S,5S,6R)-2-{[(1S,2S,3S,5R,6R,8R,12R)-8,12-ジヒドロキシ-1,5,9,9-テトラメチル-10-オキサトリシクロ[6.2.2.02,6]ドデカン-3-イル]オキシ}-6-(ヒドロキシメチル)オキサン-3,4,5-トリオール
  • (2R,3R,4S,5S,6R)-2-{[(1S,2S,3S,5R,6R,8R,12R)-8,12-dihydroxy-1,5,9,9-tetramethyl-10-oxatricyclo[6.2.2.02,6]dodecan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
Other name (1)：
  • [[(1S,3aα,8aβ)-3β,8,10,10-Tetramethyl-5,6α-dihydroxydecahydro-8α,5α-(epoxymethano)azulene]-1β-yl]β-D-glucopyranoside
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