ChemSpider 2D Image | (6beta,7alpha)-7-Methoxy-6,20-epoxyabieta-8,13-diene-11,12,20-trione | C21H26O5

(6β,7α)-7-Methoxy-6,20-epoxyabieta-8,13-diene-11,12,20-trione

  • Molecular FormulaC21H26O5
  • Average mass358.428 Da
  • Monoisotopic mass358.178009 Da
  • ChemSpider ID24663422

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(6β,7α)-7-Methoxy-6,20-epoxyabieta-8,13-dien-11,12,20-trion [German] [ACD/IUPAC Name]
(6β,7α)-7-Methoxy-6,20-epoxyabieta-8,13-diene-11,12,20-trione [ACD/IUPAC Name]
(6β,7α)-7-Méthoxy-6,20-époxyabiéta-8,13-diène-11,12,20-trione [French] [ACD/IUPAC Name]
2H-10,4a-(Epoxymethano)phenanthrene-5,6,12-trione, 1,3,4,9,10,10a-hexahydro-9-methoxy-1,1-dimethyl-7-(1-methylethyl)-, (4aR,9S,10S,10aS)- [ACD/Index Name]
ROSMAQUINONE B

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

Density: 1.2±0.1 g/cm3
Boiling Point: 548.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 82.8±3.0 kJ/mol
Flash Point: 240.6±30.2 °C
Index of Refraction: 1.559
Molar Refractivity: 94.0±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.60
ACD/LogD (pH 5.5): 2.42
ACD/BCF (pH 5.5): 40.74
ACD/KOC (pH 5.5): 494.41
ACD/LogD (pH 7.4): 2.42
ACD/BCF (pH 7.4): 40.74
ACD/KOC (pH 7.4): 494.41
Polar Surface Area: 70 Å2
Polarizability: 37.3±0.5 10-24cm3
Surface Tension: 46.0±5.0 dyne/cm
Molar Volume: 291.0±5.0 cm3

Click to predict properties on the Chemicalize site


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