ChemSpider 2D Image | (1S,2R,3S,6R,7S,13R,15S)-10-Methoxy-2,6-dimethyl-6-vinyl-9,14,16-trioxapentacyclo[10.5.1.0~2,15~.0~3,13~.0~7,13~]octadeca-10,12(18)-diene-8,17-dione | C20H22O6

(1S,2R,3S,6R,7S,13R,15S)-10-Methoxy-2,6-dimethyl-6-vinyl-9,14,16-trioxapentacyclo[10.5.1.02,15.03,13.07,13]octadeca-10,12(18)-diene-8,17-dione

  • Molecular FormulaC20H22O6
  • Average mass358.385 Da
  • Monoisotopic mass358.141632 Da
  • ChemSpider ID30651727

  • defined stereocentres - 5 of 7 defined stereocentres

More details:

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

(1S,2R,3S,6R,7S,13R,15S)-10-Methoxy-2,6-dimethyl-6-vinyl-9,14,16-trioxapentacyclo[10.5.1.02,15.03,13.07,13]octadeca-10,12(18)-dien-8,17-dion [German] [ACD/IUPAC Name]
(1S,2R,3S,6R,7S,13R,15S)-10-Methoxy-2,6-dimethyl-6-vinyl-9,14,16-trioxapentacyclo[10.5.1.02,15.03,13.07,13]octadeca-10,12(18)-diene-8,17-dione [ACD/IUPAC Name]
(1S,2R,3S,6R,7S,13R,15S)-10-Méthoxy-2,6-diméthyl-6-vinyl-9,14,16-trioxapentacyclo[10.5.1.02,15.03,13.07,13]octadéca-10,12(18)-diène-8,17-dione [French] [ACD/IUPAC Name]
11,11c-Epoxy-11cH-furo[3',4':5,6]naphth[1,8-cd]oxepin-4,9(2H,11H)-dione, 3-ethenyl-1,3,3a,8a,11a,11b-hexahydro-6-methoxy-3,11a-dimethyl-, (3R,3aS,8aS,11S,11aR,11bS,11cR)- [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: 582.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.1±3.0 kJ/mol
Flash Point: 257.3±30.2 °C
Index of Refraction: 1.595
Molar Refractivity: 90.7±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.28
ACD/LogD (pH 5.5): 2.00
ACD/BCF (pH 5.5): 19.54
ACD/KOC (pH 5.5): 292.20
ACD/LogD (pH 7.4): 2.00
ACD/BCF (pH 7.4): 19.54
ACD/KOC (pH 7.4): 292.20
Polar Surface Area: 71 Å2
Polarizability: 36.0±0.5 10-24cm3
Surface Tension: 50.8±5.0 dyne/cm
Molar Volume: 267.1±5.0 cm3

Click to predict properties on the Chemicalize site


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