ChemSpider 2D Image | (5beta,6beta)-11,12-Dihydroxy-7-methoxy-6,20-epoxyabieta-8(14),9(11),12-trien-20-one | C21H28O5

(5β,6β)-11,12-Dihydroxy-7-methoxy-6,20-epoxyabieta-8(14),9(11),12-trien-20-one

  • Molecular FormulaC21H28O5
  • Average mass360.444 Da
  • Monoisotopic mass360.193665 Da
  • ChemSpider ID95532582

  • defined stereocentres - 2 of 4 defined stereocentres

More details:

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

(5β,6β)-11,12-Dihydroxy-7-methoxy-6,20-epoxyabieta-8(14),9(11),12-trien-20-on [German] [ACD/IUPAC Name]
(5β,6β)-11,12-Dihydroxy-7-methoxy-6,20-epoxyabieta-8(14),9(11),12-trien-20-one [ACD/IUPAC Name]
(5β,6β)-11,12-Dihydroxy-7-méthoxy-6,20-époxyabiéta-8(14),9(11),12-trién-20-one [French] [ACD/IUPAC Name]
2H-10,4a-(Epoxymethano)phenanthren-12-one, 1,3,4,9,10,10a-hexahydro-5,6-dihydroxy-9-methoxy-1,1-dimethyl-7-(1-methylethyl)-, (4aR,10S,10aS)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 542.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 85.1±3.0 kJ/mol
Flash Point: 189.7±23.6 °C
Index of Refraction: 1.595
Molar Refractivity: 96.7±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.03
ACD/LogD (pH 5.5): 3.02
ACD/BCF (pH 5.5): 116.77
ACD/KOC (pH 5.5): 1050.40
ACD/LogD (pH 7.4): 3.01
ACD/BCF (pH 7.4): 113.90
ACD/KOC (pH 7.4): 1024.60
Polar Surface Area: 76 Å2
Polarizability: 38.3±0.5 10-24cm3
Surface Tension: 54.6±5.0 dyne/cm
Molar Volume: 284.5±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement