Chem
J-GLOBAL ID:200907086727940245   Nikkaji number:J1.973.623G

Celerioside C

セレリオシドC
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/c1-11-4-5-15(24)21(10-23)7-6-12(8-13(11)21)20(2,3)29-19-18(27)17(26)16(25)14(9-22)28-19/h12-19,22-27H,1,4-10H2,2-3H3/t12-,13+,14-,15+,16-,17+,18-,19+,21+/m1/s1
InChI key: BYHLWAMJPOIZOR-MASJPSMLSA-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(CO)[C@@H](O)CCC(=C)[C@@H]2C1
Systematic name  (3):
  • (1S,4aβ)-1β-ヒドロキシ-4-メチレン-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-8aα-メタノール
  • (2S,3R,4S,5S,6R)-2-({2-[(2R,4aR,5S,8aS)-5-ヒドロキシ-4a-(ヒドロキシメチル)-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,5S,8aS)-5-hydroxy-4a-(hydroxymethyl)-8-methylidene-decahydronaphthalen-2-yl]propan-2-yl}oxy)-6-(hydroxymethyl)oxane-3,4,5-triol
Other name (3):
  • (1S,4aβ)-1β-Hydroxy-4-methylene-6α-[1-(β-D-glucopyranosyloxy)-1-methylethyl]decahydronaphthalene-8aα-methanol
  • セレリオシドC
  • Celerioside C
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