ChemSpider 2D Image | (3E,6R,9E,11R,14R)-11-Hydroxy-6,14-dimethyl-1,7-dioxacyclotetradeca-3,9-diene-2,5,8-trione | C14H18O6

(3E,6R,9E,11R,14R)-11-Hydroxy-6,14-dimethyl-1,7-dioxacyclotetradeca-3,9-diene-2,5,8-trione

  • Molecular FormulaC14H18O6
  • Average mass282.289 Da
  • Monoisotopic mass282.110352 Da
  • ChemSpider ID24701530

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 3 defined stereocentres

More details:

Featured data source
Natural Product Updates

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

(3E,6R,9E,11R,14R)-11-Hydroxy-6,14-dimethyl-1,7-dioxacyclotetradeca-3,9-dien-2,5,8-trion [German] [ACD/IUPAC Name]
(3E,6R,9E,11R,14R)-11-Hydroxy-6,14-dimethyl-1,7-dioxacyclotetradeca-3,9-diene-2,5,8-trione [ACD/IUPAC Name]
(3E,6R,9E,11R,14R)-11-Hydroxy-6,14-diméthyl-1,7-dioxacyclotétradéca-3,9-diène-2,5,8-trione [French] [ACD/IUPAC Name]
1,7-Dioxacyclotetradeca-3,9-diene-2,5,8-trione, 11-hydroxy-6,14-dimethyl-, (3E,6R,9E,11R,14R)- [ACD/Index Name]
4-keto-clonostachydiol
acremonol
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL482036/

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

Density: 1.2±0.1 g/cm3
Boiling Point: 551.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.4 mmHg at 25°C
Enthalpy of Vaporization: 95.6±6.0 kJ/mol
Flash Point: 208.4±23.6 °C
Index of Refraction: 1.480
Molar Refractivity: 69.2±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: -1.21
ACD/LogD (pH 5.5): -0.10
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 21.06
ACD/LogD (pH 7.4): -0.10
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 21.06
Polar Surface Area: 90 Å2
Polarizability: 27.4±0.5 10-24cm3
Surface Tension: 37.8±3.0 dyne/cm
Molar Volume: 243.5±3.0 cm3

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