Chem
J-GLOBAL ID：200907071383812881   Nikkaji number：J739.934K

3′-O-Caffeoylsweroside

3′-O-カフェオイルスウェロシド
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： C25H28O12
Molecular formula furigana： C25-H28-O12
Molecular weight： 520.486
InChI： InChI=1S/C25H28O12/c1-2-13-14-7-8-33-23(32)15(14)11-34-24(13)37-25-21(31)22(20(30)18(10-26)35-25)36-19(29)6-4-12-3-5-16(27)17(28)9-12/h2-6,9,11,13-14,18,20-22,24-28,30-31H,1,7-8,10H2/b6-4+/t13-,14+,18-,20-,21-,22+,24+,25+/m1/s1
InChI key： XOGGREZGCFWEBP-KHYBMMPHSA-N
SMILES： OC[C@H]1O[C@@H](O[C@@H]2OC=C3[C@@H](CCOC3=O)[C@H]2C=C)[C@H](O)[C@@H](OC(=O)/C=C/c2ccc(O)c(O)c2)[C@@H]1O
Systematic name  (3)：
  • (4aS)-5β-エテニル-6α-[3-O-[(E)-3-(3,4-ジヒドロキシフェニル)プロペノイル]-β-D-グルコピラノシルオキシ]-4,4aα,5,6-テトラヒドロ-1H,3H-ピラノ[3,4-c]ピラン-1-オン
  • (2S,3R,4S,5R,6R)-2-{[(3S,4R,4aS)-4-エテニル-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}-3,5-ジヒドロキシ-6-(ヒドロキシメチル)オキサン-4-イル (2E)-3-(3,4-ジヒドロキシフェニル)プロパ-2-エノアート
  • (2S,3R,4S,5R,6R)-2-{[(3S,4R,4aS)-4-ethenyl-8-oxo-3H,4H,4aH,5H,6H,8H-pyrano[3,4-c]pyran-3-yl]oxy}-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl (2E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
Other name (3)：
  • 3′-O-カフェオイルスウェロシド
  • 3′-O-Caffeoylsweroside
  • (4aS)-5β-Ethenyl-6α-[3-O-[(E)-3-(3,4-dihydroxyphenyl)propenoyl]-β-D-glucopyranosyloxy]-4,4aα,5,6-tetrahydro-1H,3H-pyrano[3,4-c]pyran-1-one
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