ChemSpider 2D Image | Methyl [(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-9-en-16-yl]acetate | C27H32O7

Methyl [(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-9-en-16-yl]acetate

  • Molecular FormulaC27H32O7
  • Average mass468.539 Da
  • Monoisotopic mass468.214813 Da
  • ChemSpider ID21111699

  • defined stereocentres - 4 of 7 defined stereocentres

More details:

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

[(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-9-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)-4,4a,5,6,6a,7,8,9,10,11,12,12a-dodecahydro-4a,7,9,9-tetramethyl-2,10,13-trioxo-, methyl ester, (4R,4aR,8S,11S)- [ACD/Index Name]
Methyl [(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-9-en-16-yl]acetate [ACD/IUPAC Name]
Methyl-[(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-9-en-16-yl]acetat [German] [ACD/IUPAC Name]
3463-88-5 [RN]
CARAPIN

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

Density: 1.3±0.1 g/cm3
Boiling Point: 616.6±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: 326.7±31.5 °C
Index of Refraction: 1.570
Molar Refractivity: 121.1±0.4 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.73
ACD/LogD (pH 5.5): 3.33
ACD/BCF (pH 5.5): 201.01
ACD/KOC (pH 5.5): 1549.63
ACD/LogD (pH 7.4): 3.33
ACD/BCF (pH 7.4): 198.87
ACD/KOC (pH 7.4): 1533.19
Polar Surface Area: 100 Å2
Polarizability: 48.0±0.5 10-24cm3
Surface Tension: 51.0±5.0 dyne/cm
Molar Volume: 369.2±5.0 cm3

Click to predict properties on the Chemicalize site


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