ChemSpider 2D Image | 8-[(3E)-5,6-Dimethyl-3-hepten-2-yl]-16-hydroxy-9,13-dimethyl-18,19-dioxapentacyclo[10.5.2.0~1,13~.0~4,12~.0~5,9~]nonadec-4-en-3-one | C28H42O4

8-[(3E)-5,6-Dimethyl-3-hepten-2-yl]-16-hydroxy-9,13-dimethyl-18,19-dioxapentacyclo[10.5.2.01,13.04,12.05,9]nonadec-4-en-3-one

  • Molecular FormulaC28H42O4
  • Average mass442.631 Da
  • Monoisotopic mass442.308319 Da
  • ChemSpider ID78443672

  • Double-bond stereo - Double-bond stereo

More details:

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

5,9-Epidioxy-2H-cyclopenta[a]phenanthren-7(6H)-one, 1,3,4,10,11,12,13,15,16,17-decahydro-3-hydroxy-10,13-dimethyl-17-[(2E)-1,4,5-trimethyl-2-hexen-1-yl]- [ACD/Index Name]
8-[(3E)-5,6-Dimethyl-3-hepten-2-yl]-16-hydroxy-9,13-dimethyl-18,19-dioxapentacyclo[10.5.2.01,13.04,12.05,9]nonadec-4-en-3-on [German] [ACD/IUPAC Name]
8-[(3E)-5,6-Dimethyl-3-hepten-2-yl]-16-hydroxy-9,13-dimethyl-18,19-dioxapentacyclo[10.5.2.01,13.04,12.05,9]nonadec-4-en-3-one [ACD/IUPAC Name]
8-[(3E)-5,6-Diméthyl-3-heptén-2-yl]-16-hydroxy-9,13-diméthyl-18,19-dioxapentacyclo[10.5.2.01,13.04,12.05,9]nonadéc-4-én-3-one [French] [ACD/IUPAC Name]
Gargalol B

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

Density: 1.1±0.1 g/cm3
Boiling Point: 545.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 94.8±6.0 kJ/mol
Flash Point: 173.3±23.6 °C
Index of Refraction: 1.558
Molar Refractivity: 125.9±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 6.27
ACD/LogD (pH 5.5): 5.97
ACD/BCF (pH 5.5): 20328.33
ACD/KOC (pH 5.5): 42201.24
ACD/LogD (pH 7.4): 5.97
ACD/BCF (pH 7.4): 20328.33
ACD/KOC (pH 7.4): 42201.24
Polar Surface Area: 56 Å2
Polarizability: 49.9±0.5 10-24cm3
Surface Tension: 44.8±5.0 dyne/cm
Molar Volume: 390.4±5.0 cm3

Click to predict properties on the Chemicalize site


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