ChemSpider 2D Image | Methyl (2R)-acetoxy[(1R,2S,5R,6R,13R,16S)-6-(3-furyl)-13-hydroxy-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 | C29H34O10

Methyl (2R)-acetoxy[(1R,2S,5R,6R,13R,16S)-6-(3-furyl)-13-hydroxy-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 FormulaC29H34O10
  • Average mass542.574 Da
  • Monoisotopic mass542.215210 Da
  • ChemSpider ID35517157

  • defined stereocentres - 6 of 7 defined stereocentres

More details:

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

(2R)-Acétoxy[(1R,2S,5R,6R,13R,16S)-6-(3-furyl)-13-hydroxy-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, α-(acetyloxy)-4-(3-furanyl)-1,4,4a,5,6,6a,7,8,9,10,11,12-dodecahydro-11-hydroxy-4a,7,9,9-tetramethyl-2,10,13-trioxo-, methyl ester, ( αR,4R,4aR,6aS,7R,8S,11R)- [ACD/Index Name]
Methyl (2R)-acetoxy[(1R,2S,5R,6R,13R,16S)-6-(3-furyl)-13-hydroxy-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-(2R)-acetoxy[(1R,2S,5R,6R,13R,16S)-6-(3-furyl)-13-hydroxy-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: 1.4±0.1 g/cm3
Boiling Point: 700.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 107.6±3.0 kJ/mol
Flash Point: 377.3±32.9 °C
Index of Refraction: 1.581
Molar Refractivity: 133.6±0.4 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 2.56
ACD/LogD (pH 5.5): 3.18
ACD/BCF (pH 5.5): 154.80
ACD/KOC (pH 5.5): 1285.45
ACD/LogD (pH 7.4): 3.18
ACD/BCF (pH 7.4): 154.52
ACD/KOC (pH 7.4): 1283.09
Polar Surface Area: 146 Å2
Polarizability: 53.0±0.5 10-24cm3
Surface Tension: 57.4±5.0 dyne/cm
Molar Volume: 400.9±5.0 cm3

Click to predict properties on the Chemicalize site


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