ChemSpider 2D Image | 3,15,16-Trihydroxy-1,4-dimethoxy-12-methyl-3,4,8a,13-tetrahydro-1H-chromeno[2',3':6,7][1,3]dioxino[4',5',6':4,5]naphtho[2,1-g]isoquinoline-14,17(2H,9H)-dione | C28H25NO10

3,15,16-Trihydroxy-1,4-dimethoxy-12-methyl-3,4,8a,13-tetrahydro-1H-chromeno[2',3':6,7][1,3]dioxino[4',5',6':4,5]naphtho[2,1-g]isoquinoline-14,17(2H,9H)-dione

  • Molecular FormulaC28H25NO10
  • Average mass535.499 Da
  • Monoisotopic mass535.147827 Da
  • ChemSpider ID4591065

More details:






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

1H-[1]Benzopyrano[2',3':6,7][1,3]dioxino[4',5',6':4,5]naphth[2,1-g]isoquinoline-14,17(2H,9H)-dione, 3,4,8a,13-tetrahydro-3,15,16-trihydroxy-1,4-dimethoxy-12-methyl- [ACD/Index Name]
3,15,16-Trihydroxy-1,4-dimethoxy-12-methyl-3,4,8a,13-tetrahydro-1H-chromeno[2',3':6,7][1,3]dioxino[4',5',6':4,5]naphtho[2,1-g]isochinolin-14,17(2H,9H)-dion [German] [ACD/IUPAC Name]
3,15,16-Trihydroxy-1,4-dimethoxy-12-methyl-3,4,8a,13-tetrahydro-1H-chromeno[2',3':6,7][1,3]dioxino[4',5',6':4,5]naphtho[2,1-g]isoquinoline-14,17(2H,9H)-dione [ACD/IUPAC Name]
3,15,16-Trihydroxy-1,4-diméthoxy-12-méthyl-3,4,8a,13-tétrahydro-1H-chroméno[2',3':6,7][1,3]dioxino[4',5',6':4,5]naphto[2,1-g]isoquinoléine-14,17(2H,9H)-dione [French] [ACD/IUPAC Name]
116200-81-8 [RN]
1H-Xantheno(4',3',2':4,5)(1,3)benzodioxino(7,6-g)isoquinoline-14,17(2H,9H)-dione, 3,4,8a,13-tetrahydro-3,15,16-trihydroxy-1,4-dimethoxy-12-methyl-, (1S-(1α,3α,4β,8aα))-
Actinoplanone D

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.7±0.1 g/cm3
Boiling Point: 914.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 139.3±3.0 kJ/mol
Flash Point: 506.9±34.3 °C
Index of Refraction: 1.746
Molar Refractivity: 131.5±0.4 cm3
#H bond acceptors: 11
#H bond donors: 4
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 2
ACD/LogP: 0.96
ACD/LogD (pH 5.5): 0.47
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.24
ACD/LogD (pH 7.4): 0.19
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.72
Polar Surface Area: 153 Å2
Polarizability: 52.1±0.5 10-24cm3
Surface Tension: 91.5±5.0 dyne/cm
Molar Volume: 324.1±5.0 cm3

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