Scutellarin

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Properties Simple | Detailed

Formula C21H18O12
IUPAC Name (2s,3s,4s,5r,6s)-6-[5,6-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-chromen-7-yl]oxy-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid
Molecular Mass 462.360 g·mol−1
Heat of Formation -1840.1 ± 16.7 kJ·mol−1
Dipole Moment 5.42 ± 1.08 D
Volume 481.44 Å 3
Surface Area 415.8 Å 2
HOMO Energy -8.84 ± 0.55 eV
LUMO Energy -1.11 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,3s,4s,5r,6s)-6-[5,6-dihydroxy-2-(4-hydroxyphenyl)-4-keto-chromen-7-yl]oxy-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid
  • (2s,3s,4s,5r,6s)-6-[5,6-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-chromen-7-yl]oxy-3,4,5-trihydroxy-oxane-2-carboxylic acid
  • (2s,3s,4s,5r,6s)-6-[5,6-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-chromen-7-yl]oxy-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid
  • (2s,3s,4s,5r,6s)-6-[5,6-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
  • (2s,3s,4s,5r,6s)-6-[[5,6-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-7-chromenyl]oxy]-3,4,5-trihydroxy-2-tetrahydropyrancarboxylic acid
  • 4h-1-benzopyran-4-one, 7-(.beta.-d-glucopyranuronosyloxy)-5,6-dihydroxy-2-(4-hydroxyphenyl)-
  • beta-d-glucopyranosiduronic acid, 5,6-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4h-1-benzopyran-7-yl
  • breviscapin
  • breviscapine
  • flavone, 4',5,6,7-tetrahydroxy-, 7-beta-d-glucopyranuronoside
  • glucopyranosiduronic acid, 5,6-dihydroxy-2-(p-hydroxyphenyl)-4-oxo-4h-1-benzopyran-7-yl, beta-d-
  • megxp0_000554
  • scutellarein-7-glucuronide
  • scutellarein-7-o-beta-d-glucuronide
  • scutellarein-7beta-d-glucuronide
  • scutellarein-7beta-d-glucuronoside
CAS Number(s)
  • 116122-36-2
  • 27740-01-8
  • 1329-06-2
  • 676536-34-8
  • 32647-60-2
InChIKey DJSISFGPUUYILV-ZFORQUDYSA-N
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