ChemSpider 2D Image | (2S,4R,8S,9R)-1-Methoxy-2,11-dimethyl-7-methylene-6-oxo-5,14-dioxatricyclo[9.2.1.0~4,8~]tetradec-9-yl 2-methylpropanoate | C20H30O6

(2S,4R,8S,9R)-1-Methoxy-2,11-dimethyl-7-methylene-6-oxo-5,14-dioxatricyclo[9.2.1.04,8]tetradec-9-yl 2-methylpropanoate

  • Molecular FormulaC20H30O6
  • Average mass366.449 Da
  • Monoisotopic mass366.204254 Da
  • ChemSpider ID34966846

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(2S,4R,8S,9R)-1-Methoxy-2,11-dimethyl-7-methylen-6-oxo-5,14-dioxatricyclo[9.2.1.04,8]tetradec-9-yl-2-methylpropanoat [German] [ACD/IUPAC Name]
(2S,4R,8S,9R)-1-Methoxy-2,11-dimethyl-7-methylene-6-oxo-5,14-dioxatricyclo[9.2.1.04,8]tetradec-9-yl 2-methylpropanoate [ACD/IUPAC Name]
2-Méthylpropanoate de (2S,4R,8S,9R)-1-méthoxy-2,11-diméthyl-7-méthylène-6-oxo-5,14-dioxatricyclo[9.2.1.04,8]tétradéc-9-yle [French] [ACD/IUPAC Name]
Propanoic acid, 2-methyl-, (3aS,4R,10S,11aR)-dodecahydro-9-methoxy-6,10-dimethyl-3-methylene-2-oxo-6,9-epoxycyclodeca[b]furan-4-yl ester [ACD/Index Name]
[(1S,2S,4R,8S,9R,11S)-1-methoxy-2,11-dimethyl-7-methylidene-6-oxo-5,14-dioxatricyclo[9.2.1.04,8]tetradecan-9-yl] 2-methylpropanoate
1021945-29-8 [RN]
3-O-Methyltirotundin

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

Density: 1.2±0.1 g/cm3
Boiling Point: 474.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 73.8±3.0 kJ/mol
Flash Point: 205.6±28.8 °C
Index of Refraction: 1.510
Molar Refractivity: 95.2±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.38
ACD/LogD (pH 5.5): 2.91
ACD/BCF (pH 5.5): 96.23
ACD/KOC (pH 5.5): 914.64
ACD/LogD (pH 7.4): 2.91
ACD/BCF (pH 7.4): 96.23
ACD/KOC (pH 7.4): 914.64
Polar Surface Area: 71 Å2
Polarizability: 37.7±0.5 10-24cm3
Surface Tension: 40.3±5.0 dyne/cm
Molar Volume: 318.4±5.0 cm3

Click to predict properties on the Chemicalize site


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