ChemSpider 2D Image | 3-Hydroxy-13-{[(2Z)-3-hydroxy-2-buten-2-yl]amino}-1,4-dimethoxy-12-methyl-3,4,8a,9-tetrahydro-1H-chromeno[2',3':6,7][1,3]dioxino[4',5',6':4,5]naphtho[2,1-g]isoquinoline-14,15,16,17(2H,13H)-tetrone | C32H30N2O11

3-Hydroxy-13-{[(2Z)-3-hydroxy-2-buten-2-yl]amino}-1,4-dimethoxy-12-methyl-3,4,8a,9-tetrahydro-1H-chromeno[2',3':6,7][1,3]dioxino[4',5',6':4,5]naphtho[2,1-g]isoquinoline-14,15,16,17(2H,13H)-tetrone

  • Molecular FormulaC32H30N2O11
  • Average mass618.587 Da
  • Monoisotopic mass618.184937 Da
  • ChemSpider ID4591066
  • Double-bond stereo - Double-bond stereo


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-14,15,16,17(2H,13H)-tetrone, 3,4,8a,9-tetrahydro-3-hydroxy-13-[[(1Z)-2-hydroxy-1-methyl-1-propen-1-yl]amino]-1,4-dimetho xy-12-methyl- [ACD/Index Name]
3-Hydroxy-13-{[(2Z)-3-hydroxy-2-buten-2-yl]amino}-1,4-dimethoxy-12-methyl-3,4,8a,9-tetrahydro-1H-chromeno[2',3':6,7][1,3]dioxino[4',5',6':4,5]naphtho[2,1-g]isochinolin-14,15,16,17(2H,13H)-tetron [German] [ACD/IUPAC Name]
3-Hydroxy-13-{[(2Z)-3-hydroxy-2-buten-2-yl]amino}-1,4-dimethoxy-12-methyl-3,4,8a,9-tetrahydro-1H-chromeno[2',3':6,7][1,3]dioxino[4',5',6':4,5]naphtho[2,1-g]isoquinoline-14,15,16,17(2H,13H)-tetrone [ACD/IUPAC Name]
3-Hydroxy-13-{[(2Z)-3-hydroxy-2-butén-2-yl]amino}-1,4-diméthoxy-12-méthyl-3,4,8a,9-tétrahydro-1H-chroméno[2',3':6,7][1,3]dioxino[4',5',6':4,5]naphto[2,1-g]isoquinoléine-14,15,16,17(2H,13H)-tétrone [French] [ACD/IUPAC Name]
116200-82-9 [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-13-((1-methyl-2-oxopropylidene)amino)-, (1S-(1α,3α,4β,8aα))-
Actinoplanone G

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

Density: 1.6±0.1 g/cm3
Boiling Point: 906.4±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 149.6±6.0 kJ/mol
Flash Point: 502.0±37.1 °C
Index of Refraction: 1.701
Molar Refractivity: 151.7±0.4 cm3
#H bond acceptors: 13
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 1.96
ACD/LogD (pH 5.5): 1.62
ACD/BCF (pH 5.5): 9.95
ACD/KOC (pH 5.5): 180.27
ACD/LogD (pH 7.4): 1.62
ACD/BCF (pH 7.4): 9.95
ACD/KOC (pH 7.4): 180.27
Polar Surface Area: 170 Å2
Polarizability: 60.1±0.5 10-24cm3
Surface Tension: 76.0±5.0 dyne/cm
Molar Volume: 391.9±5.0 cm3

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