ChemSpider 2D Image | (3R,5S,6R,8R,11R,13S)-3-(3-Furyl)-5-methyl-2,9,14-trioxapentacyclo[11.2.1.1~8,11~.0~1,5~.0~6,12~]heptadecane-10,15-dione | C19H20O6

(3R,5S,6R,8R,11R,13S)-3-(3-Furyl)-5-methyl-2,9,14-trioxapentacyclo[11.2.1.18,11.01,5.06,12]heptadecane-10,15-dione

  • Molecular FormulaC19H20O6
  • Average mass344.358 Da
  • Monoisotopic mass344.125977 Da
  • ChemSpider ID58190575

  • defined stereocentres - 6 of 8 defined stereocentres

More details:

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

(3R,5S,6R,8R,11R,13S)-3-(3-Furyl)-5-methyl-2,9,14-trioxapentacyclo[11.2.1.18,11.01,5.06,12]heptadecan-10,15-dion [German] [ACD/IUPAC Name]
(3R,5S,6R,8R,11R,13S)-3-(3-Furyl)-5-methyl-2,9,14-trioxapentacyclo[11.2.1.18,11.01,5.06,12]heptadecane-10,15-dione [ACD/IUPAC Name]
(3R,5S,6R,8R,11R,13S)-3-(3-Furyl)-5-méthyl-2,9,14-trioxapentacyclo[11.2.1.18,11.01,5.06,12]heptadécane-10,15-dione [French] [ACD/IUPAC Name]
4H-3a,6:7,10-Dimethanofuro[2,3-c]oxepino[4,5-e]oxepin-4,8(6H)-dione, 2-(3-furanyl)octahydro-11b-methyl-, (2R,6S,7R,10R,11aR,11bS)- [ACD/Index Name]
20086-06-0 [RN]
Diosbulbin B

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

Density: 1.4±0.1 g/cm3
Boiling Point: 574.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 86.1±3.0 kJ/mol
Flash Point: 301.4±30.1 °C
Index of Refraction: 1.613
Molar Refractivity: 83.8±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: -0.41
ACD/LogD (pH 5.5): -0.17
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 19.14
ACD/LogD (pH 7.4): -0.17
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 19.14
Polar Surface Area: 75 Å2
Polarizability: 33.2±0.5 10-24cm3
Surface Tension: 58.0±5.0 dyne/cm
Molar Volume: 240.7±5.0 cm3

Click to predict properties on the Chemicalize site


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