Chem
J-GLOBAL ID：200907044549046824   Nikkaji number：J1.973.622I

Celerioside D

セレリオシドD
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： C21H36O8
Molecular formula furigana： C21-H36-O8
Molecular weight： 416.511
InChI： InChI=1S/C21H36O8/c1-10-7-13(23)18(27)21(4)6-5-11(8-12(10)21)20(2,3)29-19-17(26)16(25)15(24)14(9-22)28-19/h11-19,22-27H,1,5-9H2,2-4H3/t11-,12+,13+,14-,15-,16+,17-,18+,19+,21-/m1/s1
InChI key： LHONWXPQABNHFF-AOHJXTADSA-N
SMILES： CC(C)(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@@H]1CC[C@@]2(C)[C@@H](O)[C@@H](O)CC(=C)[C@@H]2C1
Systematic name  (3)：
  • (1R,4aβ)-4-メチレン-8aα-メチル-6α-[1-(β-D-グルコピラノシルオキシ)-1-メチルエチル]デカヒドロナフタレン-1β,2β-ジオール
  • (2S,3R,4S,5S,6R)-2-({2-[(2R,4aR,5R,6S,8aS)-5,6-ジヒドロキシ-4a-メチル-8-メチリデン-デカヒドロナフタレン-2-イル]プロパン-2-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
  • (2S,3R,4S,5S,6R)-2-({2-[(2R,4aR,5R,6S,8aS)-5,6-dihydroxy-4a-methyl-8-methylidene-decahydronaphthalen-2-yl]propan-2-yl}oxy)-6-(hydroxymethyl)oxane-3,4,5-triol
Other name (3)：
  • (1R,4aβ)-4-Methylene-8aα-methyl-6α-[1-(β-D-glucopyranosyloxy)-1-methylethyl]decahydronaphthalene-1β,2β-diol
  • セレリオシドD
  • Celerioside D
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