ChemSpider 2D Image | Dimethyl (4aR,5R,6R,8aR)-5-[2-(3-furyl)-2-oxoethyl]-5,8a-dimethyl-3,4,4a,5,6,7,8,8a-octahydro-1,6-naphthalenedicarboxylate | C22H28O6

Dimethyl (4aR,5R,6R,8aR)-5-[2-(3-furyl)-2-oxoethyl]-5,8a-dimethyl-3,4,4a,5,6,7,8,8a-octahydro-1,6-naphthalenedicarboxylate

  • Molecular FormulaC22H28O6
  • Average mass388.454 Da
  • Monoisotopic mass388.188599 Da
  • ChemSpider ID28284712

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

Featured data source
Natural Product Updates

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

(4aR,5R,6R,8aR)-5-[2-(3-Furyl)-2-oxoéthyl]-5,8a-diméthyl-3,4,4a,5,6,7,8,8a-octahydro-1,6-naphtalènedicarboxylate de diméthyle [French] [ACD/IUPAC Name]
1,6-Naphthalenedicarboxylic acid, 5-[2-(3-furanyl)-2-oxoethyl]-3,4,4a,5,6,7,8,8a-octahydro-5,8a-dimethyl-, dimethyl ester, (4aR,5R,6R,8aR)- [ACD/Index Name]
Dimethyl (4aR,5R,6R,8aR)-5-[2-(3-furyl)-2-oxoethyl]-5,8a-dimethyl-3,4,4a,5,6,7,8,8a-octahydro-1,6-naphthalenedicarboxylate [ACD/IUPAC Name]
Dimethyl-(4aR,5R,6R,8aR)-5-[2-(3-furyl)-2-oxoethyl]-5,8a-dimethyl-3,4,4a,5,6,7,8,8a-octahydro-1,6-naphthalindicarboxylat [German] [ACD/IUPAC Name]
12-oxo-15,16-epoxy-3,13(16), 14-clerodatrien-17,18-dioc acid dimethylester
crotomembranafuran
dimethyl 15,16-epoxy-12-oxo-3,13(16),14-ent-clerodatriene-17,18-dicarboxylate

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

Density: 1.1±0.1 g/cm3
Boiling Point: 469.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 73.2±3.0 kJ/mol
Flash Point: 237.9±28.7 °C
Index of Refraction: 1.513
Molar Refractivity: 101.5±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.26
ACD/LogD (pH 5.5): 4.18
ACD/BCF (pH 5.5): 889.49
ACD/KOC (pH 5.5): 4493.62
ACD/LogD (pH 7.4): 4.18
ACD/BCF (pH 7.4): 889.49
ACD/KOC (pH 7.4): 4493.62
Polar Surface Area: 83 Å2
Polarizability: 40.2±0.5 10-24cm3
Surface Tension: 40.0±3.0 dyne/cm
Molar Volume: 337.9±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement