ChemSpider 2D Image | briviolide F | C34H48O12

briviolide F

  • Molecular FormulaC34H48O12
  • Average mass648.738 Da
  • Monoisotopic mass648.314575 Da
  • ChemSpider ID9687803

  • 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

(3aS,4Z,6S,7R,8R,8aR,9S,11S,12R,12aS,13S)-8,9,13-Triacetoxy-7-hydroxy-1,5,8a,12-tetramethyl-2-oxo-2,3a,6,7,8,8a,9,10,11,12,12a,13-dodecahydro-11,12-epoxybenzo[4,5]cyclodeca[1,2-b]furan-6-yl octanoate [ACD/IUPAC Name]
(3aS,4Z,6S,7R,8R,8aR,9S,11S,12R,12aS,13S)-8,9,13-Triacetoxy-7-hydroxy-1,5,8a,12-tetramethyl-2-oxo-2,3a,6,7,8,8a,9,10,11,12,12a,13-dodecahydro-11,12-epoxybenzo[4,5]cyclodeca[1,2-b]furan-6-yl-octanoat [German] [ACD/IUPAC Name]
briviolide F
Octanoate de (3aS,4Z,6S,7R,8R,8aR,9S,11S,12R,12aS,13S)-8,9,13-triacétoxy-7-hydroxy-1,5,8a,12-tétraméthyl-2-oxo-2,3a,6,7,8,8a,9,10,11,12,12a,13-dodécahydro-11,12-époxybenzo[4,5]cyclodéca[1,2-b]furan-6- yle [French] [ACD/IUPAC Name]
Octanoic acid, (3aS,4Z,6S,7R,8R,8aR,9S,11S,12R,12aS,13S)-8,9,13-tris(acetyloxy)-2,3a,6,7,8,8a,9,10,11,12,12a,13-dodecahydro-7-hydroxy-1,5,8a,12-tetramethyl-2-oxo-11,12-epoxybenzo[4,5]cyclodeca[1,2-b]f uran-6-yl ester [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: 725.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.3 mmHg at 25°C
Enthalpy of Vaporization: 120.9±6.0 kJ/mol
Flash Point: 220.2±26.4 °C
Index of Refraction: 1.542
Molar Refractivity: 162.9±0.4 cm3
#H bond acceptors: 12
#H bond donors: 1
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 3.63
ACD/LogD (pH 5.5): 4.32
ACD/BCF (pH 5.5): 1138.73
ACD/KOC (pH 5.5): 5362.71
ACD/LogD (pH 7.4): 4.32
ACD/BCF (pH 7.4): 1138.72
ACD/KOC (pH 7.4): 5362.67
Polar Surface Area: 164 Å2
Polarizability: 64.6±0.5 10-24cm3
Surface Tension: 50.6±5.0 dyne/cm
Molar Volume: 517.2±5.0 cm3

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