ChemSpider 2D Image | Methyl [(1S,2R,5S,6S,10S,11S,13S,14R,16R)-6-(3-furyl)-10-hydroxy-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 | C27H34O8

Methyl [(1S,2R,5S,6S,10S,11S,13S,14R,16R)-6-(3-furyl)-10-hydroxy-1,5,15,15-tetramethyl-8,17-dioxo-7,18-dioxapentacyclo[11.3.1.111,14.02,11.05,10]octadec-16-yl]acetate

  • Molecular FormulaC27H34O8
  • Average mass486.554 Da
  • Monoisotopic mass486.225372 Da
  • ChemSpider ID28496677

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

[(1S,2R,5S,6S,10S,11S,13S,14R,16R)-6-(3-Furyl)-10-hydroxy-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]
4H-10,12a-Epoxy-7,11-methano-2H-cycloocta[3,4]benzo[1,2-c]pyran-8-acetic acid, 4-(3-furanyl)dodecahydro-12b-hydroxy-4a,7,9,9-tetramethyl-2,14-dioxo-, methyl ester, (4S,4aS,6aR,7S,8R,10R,11S,12aS,12bS) - [ACD/Index Name]
Methyl [(1S,2R,5S,6S,10S,11S,13S,14R,16R)-6-(3-furyl)-10-hydroxy-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,5S,6S,10S,11S,13S,14R,16R)-6-(3-furyl)-10-hydroxy-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]
Xyloccensin K

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

Density: 1.3±0.1 g/cm3
Boiling Point: 629.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 97.8±3.0 kJ/mol
Flash Point: 334.3±31.5 °C
Index of Refraction: 1.588
Molar Refractivity: 122.6±0.4 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.50
ACD/LogD (pH 5.5): 2.86
ACD/BCF (pH 5.5): 88.36
ACD/KOC (pH 5.5): 860.47
ACD/LogD (pH 7.4): 2.86
ACD/BCF (pH 7.4): 88.36
ACD/KOC (pH 7.4): 860.47
Polar Surface Area: 112 Å2
Polarizability: 48.6±0.5 10-24cm3
Surface Tension: 56.2±5.0 dyne/cm
Molar Volume: 364.4±5.0 cm3

Click to predict properties on the Chemicalize site


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