ChemSpider 2D Image | Methyl [(1R,5R,6R,13S,16S)-6-(3-furyl)-1,5,15,15-tetramethyl-8,14,17-trioxo-7-oxatetracyclo[11.3.1.0~2,11~.0~5,10~]heptadec-10-en-16-yl]acetate | C27H32O7

Methyl [(1R,5R,6R,13S,16S)-6-(3-furyl)-1,5,15,15-tetramethyl-8,14,17-trioxo-7-oxatetracyclo[11.3.1.02,11.05,10]heptadec-10-en-16-yl]acetate

  • Molecular FormulaC27H32O7
  • Average mass468.539 Da
  • Monoisotopic mass468.214813 Da
  • ChemSpider ID23873982

  • defined stereocentres - 5 of 6 defined stereocentres

More details:

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

[(1R,5R,6R,13S,16S)-6-(3-Furyl)-1,5,15,15-tétraméthyl-8,14,17-trioxo-7-oxatétracyclo[11.3.1.02,11.05,10]heptadéc-10-én-16-yl]acétate de méthyle [French] [ACD/IUPAC Name]
7,11-Methano-2H-cycloocta[3,4]benzo[1,2-c]pyran-8-acetic acid, 4-(3-furanyl)-1,4,4a,5,6,6a,7,8,9,10,11,12-dodecahydro-4a,7,9,9-tetramethyl-2,10,13-trioxo-, methyl ester, (4R,4aR,7R,8S,11S)- [ACD/Index Name]
Methyl [(1R,5R,6R,13S,16S)-6-(3-furyl)-1,5,15,15-tetramethyl-8,14,17-trioxo-7-oxatetracyclo[11.3.1.02,11.05,10]heptadec-10-en-16-yl]acetate [ACD/IUPAC Name]
Methyl-[(1R,5R,6R,13S,16S)-6-(3-furyl)-1,5,15,15-tetramethyl-8,14,17-trioxo-7-oxatetracyclo[11.3.1.02,11.05,10]heptadec-10-en-16-yl]acetat [German] [ACD/IUPAC 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: 616.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 91.5±3.0 kJ/mol
Flash Point: 326.8±31.5 °C
Index of Refraction: 1.570
Molar Refractivity: 120.9±0.4 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.63
ACD/LogD (pH 5.5): 3.36
ACD/BCF (pH 5.5): 211.48
ACD/KOC (pH 5.5): 1606.98
ACD/LogD (pH 7.4): 3.36
ACD/BCF (pH 7.4): 209.32
ACD/KOC (pH 7.4): 1590.58
Polar Surface Area: 100 Å2
Polarizability: 47.9±0.5 10-24cm3
Surface Tension: 51.0±5.0 dyne/cm
Molar Volume: 368.4±5.0 cm3

Click to predict properties on the Chemicalize site


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