ChemSpider 2D Image | 14-deoxyxyloccensin K | C27H34O7

14-deoxyxyloccensin K

  • Molecular FormulaC27H34O7
  • Average mass470.555 Da
  • Monoisotopic mass470.230438 Da
  • ChemSpider ID26333426

  • defined stereocentres - 8 of 9 defined stereocentres

More details:

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

[(1S,2R,5R,6S,11R,13S,14R,16S)-6-(3-Furyl)-1,5,15,15-tétraméthyl-8,17-dioxo-7,18-dioxapentacyclo[11.3.1.111,14.02,11.05,10]octadéc-16-yl]acétate de méthyle [French] [ACD/IUPAC Name]
14-deoxyxyloccensin K
4H-10,12a-Epoxy-7,11-methano-2H-cycloocta[3,4]benzo[1,2-c]pyran-8-acetic acid, 4-(3-furanyl)dodecahydro-4a,7,9,9-tetramethyl-2,14-dioxo-, methyl ester, (4S,4aR,6aR,7S,8S,10R,11S,12aR)- [ACD/Index Name]
Methyl [(1S,2R,5R,6S,11R,13S,14R,16S)-6-(3-furyl)-1,5,15,15-tetramethyl-8,17-dioxo-7,18-dioxapentacyclo[11.3.1.111,14.02,11.05,10]octadec-16-yl]acetate [ACD/IUPAC Name]
Methyl-[(1S,2R,5R,6S,11R,13S,14R,16S)-6-(3-furyl)-1,5,15,15-tetramethyl-8,17-dioxo-7,18-dioxapentacyclo[11.3.1.111,14.02,11.05,10]octadec-16-yl]acetat [German] [ACD/IUPAC Name]
Methyl [(1S,2R,5R,6S,11R,13S,14R,16S)-6-(3-furyl)-1,5,15,15-tetramethyl-8,17-dioxo-7,18-dioxapentacyclo[11.3.1.1(11,14).0(2,11).0(5,10)]octadec-16-yl]acetate

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

Density: 1.3±0.1 g/cm3
Boiling Point: 597.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.0±3.0 kJ/mol
Flash Point: 315.4±30.1 °C
Index of Refraction: 1.573
Molar Refractivity: 121.0±0.4 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.79
ACD/LogD (pH 5.5): 3.30
ACD/BCF (pH 5.5): 189.96
ACD/KOC (pH 5.5): 1488.26
ACD/LogD (pH 7.4): 3.30
ACD/BCF (pH 7.4): 189.96
ACD/KOC (pH 7.4): 1488.26
Polar Surface Area: 92 Å2
Polarizability: 48.0±0.5 10-24cm3
Surface Tension: 51.1±5.0 dyne/cm
Molar Volume: 367.4±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement