Chem
J-GLOBAL ID：200907048797936599   Nikkaji number：J1.763.437B

Syringafghanoside

シリンガフガノシド
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： C25H32O11
Molecular formula furigana： C25-H32-O11
Molecular weight： 508.520
InChI： InChI=1S/C25H32O11/c1-13-7-9-15(19(13)24(32)33)16(23(30)31)11-35-25-22(29)21(28)20(27)17(36-25)12-34-18(26)10-8-14-5-3-2-4-6-14/h2-6,8,10,13,15-17,19-22,25,27-29H,7,9,11-12H2,1H3,(H,30,31)(H,32,33)/b10-8+/t13-,15+,16+,17+,19-,20+,21-,22+,25+/m0/s1
InChI key： PFXBLFQOWSJYIS-NACRPALDSA-N
SMILES： C[C@H]1CC[C@H]([C@@H](CO[C@@H]2O[C@H](COC(=O)/C=C/c3ccccc3)[C@@H](O)[C@H](O)[C@H]2O)C(=O)O)[C@H]1C(=O)O
Systematic name  (3)：
  • [(2S)-2-カルボキシ-2-[(1S,2S,3S)-2-カルボキシ-3-メチルシクロペンチル]エチル]6-O-シンナモイル-β-D-グルコピラノシド
  • (1S,2S,5S)-2-[(1S)-1-カルボキシ-2-{[(2R,3R,4S,5S,6R)-3,4,5-トリヒドロキシ-6-({[(2E)-3-フェニルプロパ-2-エノイル]オキシ}メチル)オキサン-2-イル]オキシ}エチル]-5-メチルシクロペンタン-1-カルボン酸
  • (1S,2S,5S)-2-[(1S)-1-carboxy-2-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-({[(2E)-3-phenylprop-2-enoyl]oxy}methyl)oxan-2-yl]oxy}ethyl]-5-methylcyclopentane-1-carboxylic acid
Other name (3)：
  • [(2S)-2-Carboxy-2-[(1S,2S,3S)-2-carboxy-3-methylcyclopentyl]ethyl]6-O-cinnamoyl-β-D-glucopyranoside
  • シリンガフガノシド
  • Syringafghanoside
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