ChemSpider 2D Image | 19-[2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-8-yl]-14-(1,2,3,8,13,14,15-heptahydroxy-5,11-dioxo-5,8,9,11-tetrahydro-7H-dibenzo[g,i][1,5]dioxacycloundecin-7-yl)-2,3,4,7,8,9-hexah ydroxy-13,16-dioxatetracyclo[13.3.1.0~5,18~.0~6,11~]nonadeca-1(18),2,4,6,8,10-hexaene-12,17-dione | C49H36O27

19-[2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-8-yl]-14-(1,2,3,8,13,14,15-heptahydroxy-5,11-dioxo-5,8,9,11-tetrahydro-7H-dibenzo[g,i][1,5]dioxacycloundecin-7-yl)-2,3,4,7,8,9-hexah ydroxy-13,16-dioxatetracyclo[13.3.1.05,18.06,11]nonadeca-1(18),2,4,6,8,10-hexaene-12,17-dione

  • Molecular FormulaC49H36O27
  • Average mass1056.794 Da
  • Monoisotopic mass1056.144409 Da
  • ChemSpider ID17286663

More details:

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

19-[2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-8-yl]-14-(1,2,3,8,13,14,15-heptahydroxy-5,11-dioxo-5,8,9,11-tetrahydro-7H-dibenzo[g,i][1,5]dioxacycloundecin-7-yl)-2,3,4,7,8,9-hexah ;ydroxy-13,16-dioxatetracyclo[13.3.1.05,18.06,11]nonadeca-1(18),2,4,6,8,10-hexaen-12,17-dion [German] [ACD/IUPAC Name]
19-[2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-8-yl]-14-(1,2,3,8,13,14,15-heptahydroxy-5,11-dioxo-5,8,9,11-tetrahydro-7H-dibenzo[g,i][1,5]dioxacycloundecin-7-yl)-2,3,4,7,8,9-hexah ;ydroxy-13,16-dioxatetracyclo[13.3.1.05,18.06,11]nonadeca-1(18),2,4,6,8,10-hexaene-12,17-dione [ACD/IUPAC Name]
19-[2-(3,4-Dihydroxyphényl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromén-8-yl]-14-(1,2,3,8,13,14,15-heptahydroxy-5,11-dioxo-5,8,9,11-tétrahydro-7H-dibenzo[g,i][1,5]dioxacycloundécin-7-yl)-2,3,4,7,8,9-hexah ;ydroxy-13,16-dioxatétracyclo[13.3.1.05,18.06,11]nonadéca-1(18),2,4,6,8,10-hexaène-12,17-dione [French] [ACD/IUPAC Name]
4,7-Methanodibenzo[f,h][1,4]dioxecin-5,10-dione, 15-[2-(3,4-dihydroxyphenyl)-3,4-dihydro-3,5,7-trihydroxy-2H-1-benzopyran-8-yl]-7,8-dihydro-1,2,3,12,13,14-hexahydroxy-8-(5,8,9,11-tetrahydro-1,2,3,8,13 ,14,15-heptahydroxy-5,11-dioxo-7H-dibenzo[g,i][1,5]dioxacycloundecin-7-yl)- [ACD/Index Name]
19-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-8-yl]-14-{3,4,5,11,17,18,19-heptahydroxy-8,14-dioxo-9,13-dioxatricyclo[13.4.0.02,7]nonadeca-1(15),2,4,6,16,18-hexaen-10-yl}-2,3,4,7,8,9-hexahydroxy-13,16-dioxatetracyclo[13.3.1.0^
Camelliatannin A

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

Density: 1.9±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.847
Molar Refractivity: 243.6±0.3 cm3
#H bond acceptors: 27
#H bond donors: 18
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 3
ACD/LogP: 1.51
ACD/LogD (pH 5.5): 1.67
ACD/BCF (pH 5.5): 10.93
ACD/KOC (pH 5.5): 192.14
ACD/LogD (pH 7.4): 1.33
ACD/BCF (pH 7.4): 4.98
ACD/KOC (pH 7.4): 87.53
Polar Surface Area: 479 Å2
Polarizability: 96.6±0.5 10-24cm3
Surface Tension: 130.7±3.0 dyne/cm
Molar Volume: 546.9±3.0 cm3

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