ChemSpider 2D Image | (2S,3aS,5aR,7aR,8aR,9S,11aS)-9-Methyl-6-methylene-2-(2-methyl-1-propen-1-yl)-2,3a,5,5a,6,7,7a,8a,9,10,11,11a-dodecahydrofuro[2,3-b]oxireno[5,6]cyclonona[1,2-d]pyran-9-ol | C20H28O4

(2S,3aS,5aR,7aR,8aR,9S,11aS)-9-Methyl-6-methylene-2-(2-methyl-1-propen-1-yl)-2,3a,5,5a,6,7,7a,8a,9,10,11,11a-dodecahydrofuro[2,3-b]oxireno[5,6]cyclonona[1,2-d]pyran-9-ol

  • Molecular FormulaC20H28O4
  • Average mass332.434 Da
  • Monoisotopic mass332.198761 Da
  • ChemSpider ID35516654

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(2S,3aS,5aR,7aR,8aR,9S,11aS)-9-Methyl-6-methylen-2-(2-methyl-1-propen-1-yl)-2,3a,5,5a,6,7,7a,8a,9,10,11,11a-dodecahydrofuro[2,3-b]oxireno[5,6]cyclonona[1,2-d]pyran-9-ol [German] [ACD/IUPAC Name]
(2S,3aS,5aR,7aR,8aR,9S,11aS)-9-Methyl-6-methylene-2-(2-methyl-1-propen-1-yl)-2,3a,5,5a,6,7,7a,8a,9,10,11,11a-dodecahydrofuro[2,3-b]oxireno[5,6]cyclonona[1,2-d]pyran-9-ol [ACD/IUPAC Name]
(2S,3aS,5aR,7aR,8aR,9S,11aS)-9-Méthyl-6-méthylène-2-(2-méthyl-1-propén-1-yl)-2,3a,5,5a,6,7,7a,8a,9,10,11,11a-dodécahydrofuro[2,3-b]oxiréno[5,6]cyclonona[1,2-d]pyran-9-ol [French] [ACD/IUPAC Name]
Furo[2,3-b]oxireno[5,6]cyclonona[1,2-d]pyran-9-ol, 2,3a,5,5a,6,7,7a,8a,9,10,11,11a-dodecahydro-9-methyl-6-methylene-2-(2-methyl-1-propen-1-yl)-, (2S,3aS,5aR,7aR,8aR,9S,11aS)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 470.0±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 84.4±6.0 kJ/mol
Flash Point: 238.0±28.7 °C
Index of Refraction: 1.562
Molar Refractivity: 92.0±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 2.87
ACD/LogD (pH 5.5): 2.91
ACD/BCF (pH 5.5): 95.43
ACD/KOC (pH 5.5): 909.22
ACD/LogD (pH 7.4): 2.91
ACD/BCF (pH 7.4): 95.43
ACD/KOC (pH 7.4): 909.22
Polar Surface Area: 51 Å2
Polarizability: 36.5±0.5 10-24cm3
Surface Tension: 43.5±5.0 dyne/cm
Molar Volume: 283.7±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement