ChemSpider 2D Image | 4,11,13,15,18-Pentahydroxy-1,3,7,9-tetramethyl-3,4,6a,7,9,9a-hexahydro-1H-benzo[g]pyrano[3'',4'':6',7']naphtho[2',1':5,6][1,4]dioxino[2,3-d]isochromene-5,10,19(15H)-trione | C30H28O12

4,11,13,15,18-Pentahydroxy-1,3,7,9-tetramethyl-3,4,6a,7,9,9a-hexahydro-1H-benzo[g]pyrano[3'',4'':6',7']naphtho[2',1':5,6][1,4]dioxino[2,3-d]isochromene-5,10,19(15H)-trione

  • Molecular FormulaC30H28O12
  • Average mass580.536 Da
  • Monoisotopic mass580.158081 Da
  • ChemSpider ID541608

More details:

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

1H-Naphtho[2',3':4,5]pyrano[3,4-b]pyrano[3',4':6,7]naphtho[2,1-e][1,4]dioxin-5,10,19(15H)-trione, 3,4,6a,7,9,9a-hexahydro-4,11,13,15,18-pentahydroxy-1,3,7,9-tetramethyl- [ACD/Index Name]
4,11,13,15,18-Pentahydroxy-1,3,7,9-tetramethyl-3,4,6a,7,9,9a-hexahydro-1H-benzo[g]pyrano[3'',4'':6',7']naphtho[2',1':5,6][1,4]dioxino[2,3-d]isochromen-5,10,19(15H)-trion [German] [ACD/IUPAC Name]
4,11,13,15,18-Pentahydroxy-1,3,7,9-tetramethyl-3,4,6a,7,9,9a-hexahydro-1H-benzo[g]pyrano[3'',4'':6',7']naphtho[2',1':5,6][1,4]dioxino[2,3-d]isochromene-5,10,19(15H)-trione [ACD/IUPAC Name]
4,11,13,15,18-Pentahydroxy-1,3,7,9-tétraméthyl-3,4,6a,7,9,9a-hexahydro-1H-benzo[g]pyrano[3'',4'':6',7']naphto[2',1':5,6][1,4]dioxino[2,3-d]isochromène-5,10,19(15H)-trione [French] [ACD/IUPAC Name]
Rhododactynaphin-jc-1

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

Density: 1.7±0.1 g/cm3
Boiling Point: 943.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 143.9±3.0 kJ/mol
Flash Point: 314.5±27.8 °C
Index of Refraction: 1.739
Molar Refractivity: 138.8±0.4 cm3
#H bond acceptors: 12
#H bond donors: 5
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 3
ACD/LogP: 4.51
ACD/LogD (pH 5.5): 4.41
ACD/BCF (pH 5.5): 1266.95
ACD/KOC (pH 5.5): 5515.92
ACD/LogD (pH 7.4): 2.85
ACD/BCF (pH 7.4): 34.62
ACD/KOC (pH 7.4): 150.73
Polar Surface Area: 189 Å2
Polarizability: 55.0±0.5 10-24cm3
Surface Tension: 96.8±5.0 dyne/cm
Molar Volume: 344.6±5.0 cm3

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