ChemSpider 2D Image | junceellolide F | C27H38O10

junceellolide F

  • Molecular FormulaC27H38O10
  • Average mass522.585 Da
  • Monoisotopic mass522.246521 Da
  • ChemSpider ID8159825

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(1R,3aS,4Z,8S,8aR,9S,12R,12aS,13S,13aS)-9,13-Diacetoxy-13a-hydroxy-1,5,8a-trimethyl-2-oxo-1,3a,6,7,8,8a,9,10,11,12a,13,13a-dodecahydro-2H-spiro[benzo[4,5]cyclodeca[1,2-b]furan-12,2'-oxiran]-8-yl propi onate [ACD/IUPAC Name]
junceellolide F
Spiro[benzo[4,5]cyclodeca[1,2-b]furan-12(2H),2'-oxiran]-2-one, 9,13-bis(acetyloxy)-1,3a,6,7,8,8a,9,10,11,12a,13,13a-dodecahydro-13a-hydroxy-1,5,8a-trimethyl-8-(1-oxopropoxy)-, (1R,3aS,4Z,8S,8aR,9S,12R ,12aS,13S,13aS)- [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: 598.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.8 mmHg at 25°C
Enthalpy of Vaporization: 102.3±6.0 kJ/mol
Flash Point: 190.1±23.6 °C
Index of Refraction: 1.545
Molar Refractivity: 129.2±0.4 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 2.24
ACD/LogD (pH 5.5): 2.57
ACD/BCF (pH 5.5): 52.66
ACD/KOC (pH 5.5): 594.09
ACD/LogD (pH 7.4): 2.57
ACD/BCF (pH 7.4): 52.66
ACD/KOC (pH 7.4): 594.06
Polar Surface Area: 138 Å2
Polarizability: 51.2±0.5 10-24cm3
Surface Tension: 51.4±5.0 dyne/cm
Molar Volume: 408.4±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement