ChemSpider 2D Image | (6beta,7alpha)-6,14-Dihydroxy-11,12-dioxoabieta-8,13-dien-7-yl (9Z)-9-octadecenoate | C38H60O6

(6β,7α)-6,14-Dihydroxy-11,12-dioxoabieta-8,13-dien-7-yl (9Z)-9-octadecenoate

  • Molecular FormulaC38H60O6
  • Average mass612.879 Da
  • Monoisotopic mass612.438965 Da
  • ChemSpider ID8826772

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(6β,7α)-6,14-Dihydroxy-11,12-dioxoabieta-8,13-dien-7-yl (9Z)-9-octadecenoate [ACD/IUPAC Name]
(6β,7α)-6,14-Dihydroxy-11,12-dioxoabieta-8,13-dien-7-yl-(9Z)-9-octadecenoat [German] [ACD/IUPAC Name]
(9Z)-9-Octadécénoate de (6β,7α)-6,14-dihydroxy-11,12-dioxoabiéta-8,13-dién-7-yle [French] [ACD/IUPAC Name]
9-Octadecenoic acid, (4aS,9S,10S,10aS)-1,2,3,4,4a,5,6,9,10,10a-decahydro-8,10-dihydroxy-1,1,4a-trimethyl-7-(1-methylethyl)-5,6-dioxo-9-phenanthrenyl ester, (9Z)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 674.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.7 mmHg at 25°C
Enthalpy of Vaporization: 113.4±6.0 kJ/mol
Flash Point: 195.6±25.0 °C
Index of Refraction: 1.535
Molar Refractivity: 175.8±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 2
ACD/LogP: 11.85
ACD/LogD (pH 5.5): 9.40
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 985974.06
ACD/LogD (pH 7.4): 7.65
ACD/BCF (pH 7.4): 79297.16
ACD/KOC (pH 7.4): 17306.84
Polar Surface Area: 101 Å2
Polarizability: 69.7±0.5 10-24cm3
Surface Tension: 45.3±5.0 dyne/cm
Molar Volume: 565.0±5.0 cm3

Click to predict properties on the Chemicalize site


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