Chem
J-GLOBAL ID：200907091848222254   Nikkaji number：J1.973.621K

Celerioside E

セレリオシドE
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： C21H38O8
Molecular formula furigana： C21-H38-O8
Molecular weight： 418.527
InChI： InChI=1S/C21H38O8/c1-19(2,29-18-17(26)16(25)15(24)12(10-22)28-18)11-5-7-20(3)13(9-11)21(4,27)8-6-14(20)23/h11-18,22-27H,5-10H2,1-4H3/t11-,12-,13-,14+,15-,16+,17-,18+,20-,21-/m1/s1
InChI key： KAPPVCFMUONHIO-JKFGYSIQSA-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)CC[C@@](C)(O)[C@@H]2C1
Systematic name  (3)：
  • (1S,4aβ)-4,8aα-ジメチル-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,4β-ジオール
  • (2S,3R,4S,5S,6R)-2-({2-[(2R,4aR,5S,8R,8aR)-5,8-ジヒドロキシ-4a,8-ジメチル-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,5S,8R,8aR)-5,8-dihydroxy-4a,8-dimethyl-decahydronaphthalen-2-yl]propan-2-yl}oxy)-6-(hydroxymethyl)oxane-3,4,5-triol
Other name (3)：
  • (1S,4aβ)-4,8aα-Dimethyl-6α-[1-(β-D-glucopyranosyloxy)-1-methylethyl]decahydronaphthalene-1β,4β-diol
  • セレリオシドE
  • Celerioside E
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