ChemSpider 2D Image | florxenilide A | C33H40O10

florxenilide A

  • Molecular FormulaC33H40O10
  • Average mass596.665 Da
  • Monoisotopic mass596.262146 Da
  • ChemSpider ID9759948

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(1S,4aS,7E,9R,10S,11aR)-1-Acetoxy-4-[(1S,2R)-1,2-diacetoxy-4-methyl-3-penten-1-yl]-10-hydroxy-7-methyl-11-methylen-1,4a,5,6,9,10,11,11a-octahydrocyclonona[c]pyran-9-yl-benzoat [German] [ACD/IUPAC Name]
(1S,4aS,7E,9R,10S,11aR)-1-Acetoxy-4-[(1S,2R)-1,2-diacetoxy-4-methyl-3-penten-1-yl]-10-hydroxy-7-methyl-11-methylene-1,4a,5,6,9,10,11,11a-octahydrocyclonona[c]pyran-9-yl benzoate [ACD/IUPAC Name]
(1S,4aS,9R,10S,11aR)-1-Acetoxy-4-[(1S,2R)-1,2-diacetoxy-4-methylpent-3-en-1-yl]-10-hydroxy-7-methyl-11-methylene-1,4a,5,6,9,10,11,11a-octahydrocyclonona[c]pyran-9-yl benzoate
Benzoate de (1S,4aS,7E,9R,10S,11aR)-1-acétoxy-4-[(1S,2R)-1,2-diacétoxy-4-méthyl-3-pentén-1-yl]-10-hydroxy-7-méthyl-11-méthylène-1,4a,5,6,9,10,11,11a-octahydrocyclonona[c]pyran-9-yle [French] [ACD/IUPAC Name]
Cyclonona[c]pyran-1,9,10-triol, 4-[(1S,2R)-1,2-bis(acetyloxy)-4-methyl-3-penten-1-yl]-1,4a,5,6,9,10,11,11a-octahydro-7-methyl-11-methylene-, 1-acetate 9-benzoate, (1S,4aS,7E,9R,10S,11aR)- [ACD/Index Name]
florxenilide A
Florxenilides A

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

Density: 1.2±0.1 g/cm3
Boiling Point: 679.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 104.8±3.0 kJ/mol
Flash Point: 208.8±25.0 °C
Index of Refraction: 1.560
Molar Refractivity: 156.8±0.4 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: 5.63
ACD/LogD (pH 5.5): 5.17
ACD/BCF (pH 5.5): 5004.15
ACD/KOC (pH 5.5): 15472.94
ACD/LogD (pH 7.4): 5.17
ACD/BCF (pH 7.4): 5004.14
ACD/KOC (pH 7.4): 15472.92
Polar Surface Area: 135 Å2
Polarizability: 62.2±0.5 10-24cm3
Surface Tension: 49.9±5.0 dyne/cm
Molar Volume: 485.0±5.0 cm3

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