Chem
J-GLOBAL ID:200907018683767413   Nikkaji number:J747.162I

2′-O-Acetylswertiamarin

2′-O-アセチルスウェルチアマリン
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: C18H24O11
Molecular formula furigana: C18-H24-O11
Molecular weight: 416.379
InChI: InChI=1S/C18H24O11/c1-3-9-16(26-7-10-15(23)25-5-4-18(9,10)24)29-17-14(27-8(2)20)13(22)12(21)11(6-19)28-17/h3,7,9,11-14,16-17,19,21-22,24H,1,4-6H2,2H3/t9-,11+,12+,13-,14+,16-,17-,18+/m0/s1
InChI key: PZAKWAYQXPFCBB-WURMDRQBSA-N
SMILES: CC(=O)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1O[C@@H]1OC=C2C(=O)OCC[C@@]2(O)[C@H]1C=C
Systematic name  (3):
  • 6α-(2-O-アセチル-β-D-グルコピラノシルオキシ)-4,4a,5,6-テトラヒドロ-4aα-ヒドロキシ-5β-ビニル-1H,3H-ピラノ[3,4-c]ピラン-1-オン
  • (2S,3R,4S,5S,6R)-2-{[(3S,4R,4aR)-4-エテニル-4a-ヒドロキシ-8-オキソ-3H,4H,4aH,5H,6H,8H-ピラノ[3,4-c]ピラン-3-イル]オキシ}-4,5-ジヒドロキシ-6-(ヒドロキシメチル)オキサン-3-イル アセタート
  • (2S,3R,4S,5S,6R)-2-{[(3S,4R,4aR)-4-ethenyl-4a-hydroxy-8-oxo-3H,4H,4aH,5H,6H,8H-pyrano[3,4-c]pyran-3-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl acetate
Other name (3):
  • 2′-O-アセチルスウェルチアマリン
  • 2′-O-Acetylswertiamarin
  • 6α-(2-O-Acetyl-β-D-glucopyranosyloxy)-4,4a,5,6-tetrahydro-4aα-hydroxy-5β-vinyl-1H,3H-pyrano[3,4-c]pyran-1-one
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