ChemSpider 2D Image | Methyl [(1R,5R,6R,13S,14S,16S)-6-(3-furyl)-8,14-dihydroxy-1,5,15,15-tetramethyl-17-oxo-7-oxatetracyclo[11.3.1.0~2,11~.0~5,10~]heptadec-10-en-16-yl]acetate | C27H36O7

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

  • Molecular FormulaC27H36O7
  • Average mass472.570 Da
  • Monoisotopic mass472.246094 Da
  • ChemSpider ID23873977

  • defined stereocentres - 6 of 8 defined stereocentres

More details:

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

[(1R,5R,6R,13S,14S,16S)-6-(3-Furyl)-8,14-dihydroxy-1,5,15,15-tétraméthyl-17-oxo-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-2,10-dihydroxy-4a,7,9,9-tetramethyl-13-oxo-, methyl ester, (4R,4aR,7R,8S,10S,11S)- [ACD/Index Name]
Methyl [(1R,5R,6R,13S,14S,16S)-6-(3-furyl)-8,14-dihydroxy-1,5,15,15-tetramethyl-17-oxo-7-oxatetracyclo[11.3.1.02,11.05,10]heptadec-10-en-16-yl]acetate [ACD/IUPAC Name]
Methyl-[(1R,5R,6R,13S,14S,16S)-6-(3-furyl)-8,14-dihydroxy-1,5,15,15-tetramethyl-17-oxo-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: 599.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 93.8±3.0 kJ/mol
Flash Point: 316.1±30.1 °C
Index of Refraction: 1.582
Molar Refractivity: 123.7±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.70
ACD/LogD (pH 5.5): 3.33
ACD/BCF (pH 5.5): 198.41
ACD/KOC (pH 5.5): 1535.33
ACD/LogD (pH 7.4): 3.33
ACD/BCF (pH 7.4): 198.41
ACD/KOC (pH 7.4): 1535.33
Polar Surface Area: 106 Å2
Polarizability: 49.0±0.5 10-24cm3
Surface Tension: 54.0±5.0 dyne/cm
Molar Volume: 370.5±5.0 cm3

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