Chem
J-GLOBAL ID:200907025395667559   Nikkaji number:J845.787E

Alangilignoside C

アランギリグノシド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: C27H36O13
Molecular formula furigana: C27-H36-O13
Molecular weight: 568.572
InChI: InChI=1S/C27H36O13/c1-34-16-5-12(6-17(35-2)21(16)29)14-10-38-26(13-7-18(36-3)22(30)19(8-13)37-4)15(14)11-39-27-25(33)24(32)23(31)20(9-28)40-27/h5-8,14-15,20,23-33H,9-11H2,1-4H3/t14-,15+,20-,23-,24+,25-,26-,27-/m1/s1
InChI key: NFSANPLCINYROT-MSDDOFKZSA-N
SMILES: COc1cc(cc(OC)c1O)[C@H]1CO[C@@H]([C@H]1CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1cc(OC)c(O)c(OC)c1
Systematic name  (3):
  • 4,4′-[[3β-(β-D-グルコピラノシルオキシメチル)テトラヒドロフラン]-2α,4β-ジイル]ビス(2,6-ジメトキシフェノール)
  • (2R,3R,4S,5S,6R)-2-{[(2S,3R,4S)-2,4-ビス(4-ヒドロキシ-3,5-ジメトキシフェニル)オキソラン-3-イル]メトキシ}-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-{[(2S,3R,4S)-2,4-bis(4-hydroxy-3,5-dimethoxyphenyl)oxolan-3-yl]methoxy}-6-(hydroxymethyl)oxane-3,4,5-triol
Other name (3):
  • アランギリグノシドC
  • Alangilignoside C
  • 4,4′-[[3β-(β-D-Glucopyranosyloxymethyl)tetrahydrofuran]-2α,4β-diyl]bis(2,6-dimethoxyphenol)
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