ChemSpider 2D Image | 5,7-Dihydroxy-2-[3,4,6-trihydroxy-5-oxo-1-(3,5,7-trihydroxy-3,4-dihydro-2H-chromen-2-yl)-5H-benzo[7]annulen-8-yl]-3,4-dihydro-2H-chromen-3-yl 3,4,6-trihydroxy-5-oxo-1-(3,5,7-trihydroxy-3,4-dihydro-2H- chromen-2-yl)-5H-benzo[7]annulene-8-carboxylate | C50H38O21

5,7-Dihydroxy-2-[3,4,6-trihydroxy-5-oxo-1-(3,5,7-trihydroxy-3,4-dihydro-2H-chromen-2-yl)-5H-benzo[7]annulen-8-yl]-3,4-dihydro-2H-chromen-3-yl 3,4,6-trihydroxy-5-oxo-1-(3,5,7-trihydroxy-3,4-dihydro-2H- chromen-2-yl)-5H-benzo[7]annulene-8-carboxylate

  • Molecular FormulaC50H38O21
  • Average mass974.824 Da
  • Monoisotopic mass974.190552 Da
  • ChemSpider ID35014879

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

3,4,6-Trihydroxy-5-oxo-1-(3,5,7-trihydroxy-3,4-dihydro-2H-chromén-2-yl)-5H-benzo[7]annulène-8-carboxylate de 5,7-dihydroxy-2-[3,4,6-trihydroxy-5-oxo-1-(3,5,7-trihydroxy-3,4-dihydro-2H-chromén-2-yl)-5H -benzo[7]annulén-8-yl]-3,4-dihydro-2H-chromén-3-yle [French] [ACD/IUPAC Name]
5,7-Dihydroxy-2-[3,4,6-trihydroxy-5-oxo-1-(3,5,7-trihydroxy-3,4-dihydro-2H-chromen-2-yl)-5H-benzo[7]annulen-8-yl]-3,4-dihydro-2H-chromen-3-yl 3,4,6-trihydroxy-5-oxo-1-(3,5,7-trihydroxy-3,4-dihydro-2H- chromen-2-yl)-5H-benzo[7]annulene-8-carboxylate [ACD/IUPAC Name]
5,7-Dihydroxy-2-[3,4,6-trihydroxy-5-oxo-1-(3,5,7-trihydroxy-3,4-dihydro-2H-chromen-2-yl)-5H-benzo[7]annulen-8-yl]-3,4-dihydro-2H-chromen-3-yl-3,4,6-trihydroxy-5-oxo-1-(3,5,7-trihydroxy-3,4-dihydro-2H- chromen-2-yl)-5H-benzo[7]annulen-8-carboxylat [German] [ACD/IUPAC Name]
5H-Benzocycloheptene-8-carboxylic acid, 1-(3,4-dihydro-3,5,7-trihydroxy-2H-1-benzopyran-2-yl)-3,4,6-trihydroxy-5-oxo-, 2-[1-(3,4-dihydro-3,5,7-trihydroxy-2H-1-benzopyran-2-yl)-3,4,6-trihydroxy-5-oxo-5 H-benzocyclohepten-8-yl]-3,4-dihydro-5,7-dihydroxy-2H-1-benzopyran-3-yl ester [ACD/Index Name]
5,7-dihydroxy-2-[1,2,8-trihydroxy-9-oxo-4-(3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-2-yl)benzo[7]annulen-6-yl]-3,4-dihydro-2H-1-benzopyran-3-yl 1,2,8-trihydroxy-9-oxo-4-(3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-2-yl)benzo[7]annulene-6-carboxylate
Theadibenzotropolone A

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 2.0±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.922
Molar Refractivity: 235.3±0.4 cm3
#H bond acceptors: 21
#H bond donors: 14
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 3
ACD/LogP: 3.95
ACD/LogD (pH 5.5): 3.04
ACD/BCF (pH 5.5): 114.54
ACD/KOC (pH 5.5): 978.48
ACD/LogD (pH 7.4): 0.74
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.87
Polar Surface Area: 371 Å2
Polarizability: 93.3±0.5 10-24cm3
Surface Tension: 164.4±5.0 dyne/cm
Molar Volume: 497.3±5.0 cm3

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