Chem
J-GLOBAL ID：200907004278565152   Nikkaji number：J1.973.624E

Celerioside B

セレリオシドB
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/c1-19(2,29-18-17(26)16(25)15(24)12(9-22)28-18)11-4-7-21-10-27-20(3,13(21)8-11)6-5-14(21)23/h11-18,22-26H,4-10H2,1-3H3/t11-,12-,13+,14+,15-,16+,17-,18+,20+,21+/m1/s1
InChI key： SVTDNHQQQWBECF-ZHFIMTMSSA-N
SMILES： CC(C)(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@@H]1CC[C@@]23CO[C@@](C)(CC[C@@H]2O)[C@@H]3C1
Systematic name  (3)：
  • (1S,4aβ)-4α,8aα-(エポキシメタノ)-4-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-オール
  • (2S,3R,4S,5S,6R)-2-({2-[(1R,4R,6R,7S,10S)-10-ヒドロキシ-7-メチル-12-オキサトリシクロ[5.3.2.01,6]ドデカン-4-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-[(1R,4R,6R,7S,10S)-10-hydroxy-7-methyl-12-oxatricyclo[5.3.2.01,6]dodecan-4-yl]propan-2-yl}oxy)-6-(hydroxymethyl)oxane-3,4,5-triol
Other name (3)：
  • (1S,4aβ)-4α,8aα-(Epoxymethano)-4-methyl-6α-[1-(β-D-glucopyranosyloxy)-1-methylethyl]decahydronaphthalene-1β-ol
  • セレリオシドB
  • Celerioside B
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