Chem
J-GLOBAL ID:200907050592937228   Nikkaji number:J598.511K

Phloyoside I

フロヨシドI
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: C17H26O13
Molecular formula furigana: C17-H26-O13
Molecular weight: 438.382
InChI: InChI=1S/C17H26O13/c1-16(25)10-15(30-14-9(21)8(20)7(19)6(3-18)29-14)28-4-5(13(24)27-2)17(10,26)12(23)11(16)22/h4,6-12,14-15,18-23,25-26H,3H2,1-2H3/t6-,7-,8+,9-,10-,11-,12-,14+,15+,16-,17+/m1/s1
InChI key: QNOVPOGNFVHQOK-BLLOBDDWSA-N
SMILES: COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2[C@@](C)(O)[C@H](O)[C@@H](O)[C@]12O
Systematic name  (3):
  • (1S)-1,4a,5,6,7,7aα-ヘキサヒドロ-1α-(β-D-グルコピラノシルオキシ)-4aα,5α,6β,7α-テトラヒドロキシ-7-メチルシクロペンタ[c]ピラン-4-カルボン酸メチル
  • メチル (1S,4aR,5R,6R,7R,7aR)-4a,5,6,7-テトラヒドロキシ-7-メチル-1-{[(2S,3R,4S,5S,6R)-3,4,5-トリヒドロキシ-6-(ヒドロキシメチル)オキサン-2-イル]オキシ}-1H,4aH,5H,6H,7H,7aH-シクロペンタ[c]ピラン-4-カルボキシラート
  • methyl (1S,4aR,5R,6R,7R,7aR)-4a,5,6,7-tetrahydroxy-7-methyl-1-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,4aH,5H,6H,7H,7aH-cyclopenta[c]pyran-4-carboxylate
Other name (3):
  • フロヨシドI
  • Phloyoside I
  • (1S)-1,4a,5,6,7,7aα-Hexahydro-1α-(β-D-glucopyranosyloxy)-4aα,5α,6β,7α-tetrahydroxy-7-methylcyclopenta[c]pyran-4-carboxylic acid methyl ester
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