Chem
J-GLOBAL ID：200907079047315382   Nikkaji number：J1.762.786D

Pabularin A

パブラリンA
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： C28H30O13
Molecular formula furigana： C28-H30-O13
Molecular weight： 574.535
InChI： InChI=1S/C28H30O13/c1-13-24(16(30)7-9-35-13)41-27-26(23(33)22(32)19(11-29)39-27)40-20(28(2,3)34)12-37-25-14-4-5-21(31)38-18(14)10-17-15(25)6-8-36-17/h4-10,19-20,22-23,26-27,29,32-34H,11-12H2,1-3H3/t19-,20?,22-,23+,26-,27+/m1/s1
InChI key： ISXGHEKJMRQGFQ-CLASKDJUSA-N
SMILES： Cc1occc(=O)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1OC(COc1c2ccoc2cc2oc(=O)ccc12)C(C)(C)O
Systematic name  (3)：
  • 3-[2-O-[1-(1-ヒドロキシ-1-メチルエチル)-2-(7-オキソ-7H-フロ[3,2-g][1]ベンゾピラン-4-イルオキシ)エチル]-β-D-グルコピラノシルオキシ]-2-メチル-4H-ピラン-4-オン
  • 3-{[(2S,3R,4S,5S,6R)-4,5-ジヒドロキシ-3-{[3-ヒドロキシ-3-メチル-1-({7-オキソ-7H-フロ[3,2-g]クロメン-4-イル}オキシ)ブタン-2-イル]オキシ}-6-(ヒドロキシメチル)オキサン-2-イル]オキシ}-2-メチル-4H-ピラン-4-オン
  • 3-{[(2S,3R,4S,5S,6R)-4,5-dihydroxy-3-{[3-hydroxy-3-methyl-1-({7-oxo-7H-furo[3,2-g]chromen-4-yl}oxy)butan-2-yl]oxy}-6-(hydroxymethyl)oxan-2-yl]oxy}-2-methyl-4H-pyran-4-one
Other name (3)：
  • 3-[2-O-[1-(1-Hydroxy-1-methylethyl)-2-(7-oxo-7H-furo[3,2-g][1]benzopyran-4-yloxy)ethyl]-β-D-glucopyranosyloxy]-2-methyl-4H-pyran-4-one
  • パブラリンA
  • Pabularin A
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