ChemSpider 2D Image | 1,6-Dihydroxy-4-[5-hydroxy-8,8-dimethyl-3,10-bis(2-methyl-3-buten-2-yl)-2-oxo-7,8-dihydro-2H,6H-pyrano[3,2-g]chromen-6-yl]-3,5-dimethoxy-9(10H)-acridinone | C39H41NO9

1,6-Dihydroxy-4-[5-hydroxy-8,8-dimethyl-3,10-bis(2-methyl-3-buten-2-yl)-2-oxo-7,8-dihydro-2H,6H-pyrano[3,2-g]chromen-6-yl]-3,5-dimethoxy-9(10H)-acridinone

  • Molecular FormulaC39H41NO9
  • Average mass667.744 Da
  • Monoisotopic mass667.278137 Da
  • ChemSpider ID35014939

More details:

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

1,6-Dihydroxy-4-[5-hydroxy-8,8-dimethyl-3,10-bis(2-methyl-3-buten-2-yl)-2-oxo-7,8-dihydro-2H,6H-pyrano[3,2-g]chromen-6-yl]-3,5-dimethoxy-9(10H)-acridinon [German] [ACD/IUPAC Name]
1,6-Dihydroxy-4-[5-hydroxy-8,8-dimethyl-3,10-bis(2-methyl-3-buten-2-yl)-2-oxo-7,8-dihydro-2H,6H-pyrano[3,2-g]chromen-6-yl]-3,5-dimethoxy-9(10H)-acridinone [ACD/IUPAC Name]
1,6-Dihydroxy-4-[5-hydroxy-8,8-diméthyl-3,10-bis(2-méthyl-3-butén-2-yl)-2-oxo-7,8-dihydro-2H,6H-pyrano[3,2-g]chromén-6-yl]-3,5-diméthoxy-9(10H)-acridinone [French] [ACD/IUPAC Name]
149301-47-3 [RN]
9(10H)-Acridinone, 4-[3,10-bis(1,1-dimethyl-2-propen-1-yl)-7,8-dihydro-5-hydroxy-8,8-dimethyl-2-oxo-2H,6H-benzo[1,2-b:5,4-b']dipyran-6-yl]-1,6-dihydroxy-3,5-dimethoxy- [ACD/Index Name]
1,6-dihydroxy-4-[5-hydroxy-2,2-dimethyl-7,10-bis(2-methylbut-3-en-2-yl)-8-oxo-2H,3H,4H,8H-pyrano[3,2-g]chromen-4-yl]-3,5-dimethoxy-9,10-dihydroacridin-9-one
1,6-dihydroxy-4-[5-hydroxy-2,2-dimethyl-7,10-bis(2-methylbut-3-en-2-yl)-8-oxo-3H,4H-pyrano[3,2-g]chromen-4-yl]-3,5-dimethoxy-10H-acridin-9-one
Neoacrimarine B

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

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

Density: 1.3±0.1 g/cm3
Boiling Point: 749.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 113.0±3.0 kJ/mol
Flash Point: 406.9±32.9 °C
Index of Refraction: 1.614
Molar Refractivity: 182.6±0.3 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: 9.98
ACD/LogD (pH 5.5): 9.28
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 2646891.75
ACD/LogD (pH 7.4): 8.80
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 867069.88
Polar Surface Area: 144 Å2
Polarizability: 72.4±0.5 10-24cm3
Surface Tension: 51.3±3.0 dyne/cm
Molar Volume: 524.2±3.0 cm3

Click to predict properties on the Chemicalize site


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