ChemSpider 2D Image | briaexcavatolide V | C28H40O10

briaexcavatolide V

  • Molecular FormulaC28H40O10
  • Average mass536.611 Da
  • Monoisotopic mass536.262146 Da
  • ChemSpider ID10002261

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(1R,2S,4S,4aS,5S,8Z,9aS,11aR,12aR,13S,13aS)-4,5-Diacetoxy-13-hydroxy-1,4a,8,11a-tetramethyl-11-oxo-2,3,4,4a,5,6,7,9a,11,11a,13,13a-dodecahydro-1H-benzo[4,5]cyclodeca[1,2-b]oxireno[c]furan-2-yl butyrat e [ACD/IUPAC Name]
(1R,2S,4S,4aS,5S,8Z,9aS,11aR,12aR,13S,13aS)-4,5-Diacetoxy-13-hydroxy-1,4a,8,11a-tetramethyl-11-oxo-2,3,4,4a,5,6,7,9a,11,11a,13,13a-dodecahydro-1H-benzo[4,5]cyclodeca[1,2-b]oxireno[c]furan-2-ylbutyrat [German] [ACD/IUPAC Name]
briaexcavatolide V
Butanoic acid, (1R,2S,4S,4aS,5S,8Z,9aS,11aR,12aR,13S,13aS)-4,5-bis(acetyloxy)-2,3,4,4a,5,6,7,9a,11,11a,13,13a-dodecahydro-13-hydroxy-1,4a,8,11a-tetramethyl-11-oxo-1H-benzo[4,5]cyclodec[1,2-b]oxireno[c ]furan-2-yl ester [ACD/Index Name]
Butyrate de (1R,2S,4S,4aS,5S,8Z,9aS,11aR,12aR,13S,13aS)-4,5-diacétoxy-13-hydroxy-1,4a,8,11a-tétraméthyl-11-oxo-2,3,4,4a,5,6,7,9a,11,11a,13,13a-dodécahydro-1H-benzo[4,5]cyclodéca[1,2-b]oxiréno[c]furan- 2-yle [French] [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: 622.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.1 mmHg at 25°C
Enthalpy of Vaporization: 105.8±6.0 kJ/mol
Flash Point: 196.9±25.0 °C
Index of Refraction: 1.542
Molar Refractivity: 133.8±0.4 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 3.69
ACD/LogD (pH 5.5): 3.46
ACD/BCF (pH 5.5): 250.13
ACD/KOC (pH 5.5): 1812.25
ACD/LogD (pH 7.4): 3.46
ACD/BCF (pH 7.4): 250.13
ACD/KOC (pH 7.4): 1812.24
Polar Surface Area: 138 Å2
Polarizability: 53.0±0.5 10-24cm3
Surface Tension: 50.3±5.0 dyne/cm
Molar Volume: 425.0±5.0 cm3

Click to predict properties on the Chemicalize site


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