ChemSpider 2D Image | 2-Methoxy-2-oxoethyl (1R,2S,5R,6R,13S,14R,16S)-6-(3-furyl)-16-[(1R)-1-hydroxy-2-methoxy-2-oxoethyl]-1,5,15,15-tetramethyl-8,17-dioxo-7-oxatetracyclo[11.3.1.0~2,11~.0~5,10~]heptadec-10-ene-14-carboxyla te | C31H38O11

2-Methoxy-2-oxoethyl (1R,2S,5R,6R,13S,14R,16S)-6-(3-furyl)-16-[(1R)-1-hydroxy-2-methoxy-2-oxoethyl]-1,5,15,15-tetramethyl-8,17-dioxo-7-oxatetracyclo[11.3.1.02,11.05,10]heptadec-10-ene-14-carboxyla te

  • Molecular FormulaC31H38O11
  • Average mass586.627 Da
  • Monoisotopic mass586.241394 Da
  • ChemSpider ID31147931

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(1R,2S,5R,6R,13S,14R,16S)-6-(3-Furyl)-16-[(1R)-1-hydroxy-2-méthoxy-2-oxoéthyl]-1,5,15,15-tétraméthyl-8,17-dioxo-7-oxatétracyclo[11.3.1.02,11.05,10]heptadéc-10-ène-14-carboxylate de 2-méthoxy-2-oxo 
éthyle [French] [ACD/IUPAC Name]
2-Methoxy-2-oxoethyl (1R,2S,5R,6R,13S,14R,16S)-6-(3-furyl)-16-[(1R)-1-hydroxy-2-methoxy-2-oxoethyl]-1,5,15,15-tetramethyl-8,17-dioxo-7-oxatetracyclo[11.3.1.02,11.05,10]heptadec-10-ene-14-carboxyla ;te [ACD/IUPAC Name]
2-Methoxy-2-oxoethyl-(1R,2S,5R,6R,13S,14R,16S)-6-(3-furyl)-16-[(1R)-1-hydroxy-2-methoxy-2-oxoethyl]-1,5,15,15-tetramethyl-8,17-dioxo-7-oxatetracyclo[11.3.1.02,11.05,10]heptadec-10-en-14-carboxylat [German] [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-α-hydroxy-10-[(2-methoxy-2-oxoethoxy)carbonyl]-4a,7,9,9-tetramethyl-2,13-dioxo -, methyl ester, (αR,4R,4aR,6aS,7R,8S,10R,11S)- [ACD/Index 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: 707.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 108.7±3.0 kJ/mol
Flash Point: 381.6±32.9 °C
Index of Refraction: 1.571
Molar Refractivity: 144.5±0.4 cm3
#H bond acceptors: 11
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 2.49
ACD/LogD (pH 5.5): 2.95
ACD/BCF (pH 5.5): 102.90
ACD/KOC (pH 5.5): 959.61
ACD/LogD (pH 7.4): 2.95
ACD/BCF (pH 7.4): 102.90
ACD/KOC (pH 7.4): 959.61
Polar Surface Area: 156 Å2
Polarizability: 57.3±0.5 10-24cm3
Surface Tension: 56.1±5.0 dyne/cm
Molar Volume: 439.8±5.0 cm3

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