ChemSpider 2D Image | briviolide D | C26H34O10

briviolide D

  • Molecular FormulaC26H34O10
  • Average mass506.542 Da
  • Monoisotopic mass506.215210 Da
  • ChemSpider ID9859570
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 8 of 8 defined stereocentres


More details:






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

(3aS,4Z,7R,8R,8aS,11R,12S,12aS,13S)-11,12-Dihydroxy-1,5,8a,12-tetramethyl-2-oxo-2,3a,6,7,8,8a,11,12,12a,13-decahydrobenzo[4,5]cyclodeca[1,2-b]furan-7,8,13-triyl triacetate [ACD/IUPAC Name]
(3aS,4Z,7R,8R,8aS,11R,12S,12aS,13S)-11,12-Dihydroxy-1,5,8a,12-tetramethyl-2-oxo-2,3a,6,7,8,8a,11,12,12a,13-decahydrobenzo[4,5]cyclodeca[1,2-b]furan-7,8,13-triyl-triacetat [German] [ACD/IUPAC Name]
Benzo[4,5]cyclodeca[1,2-b]furan-2(3aH)-one, 7,8,13-tris(acetyloxy)-6,7,8,8a,11,12,12a,13-octahydro-11,12-dihydroxy-1,5,8a,12-tetramethyl-, (3aS,4Z,7R,8R,8aS,11R,12S,12aS,13S)- [ACD/Index Name]
briviolide D
Triacétate de (3aS,4Z,7R,8R,8aS,11R,12S,12aS,13S)-11,12-dihydroxy-1,5,8a,12-tétraméthyl-2-oxo-2,3a,6,7,8,8a,11,12,12a,13-décahydrobenzo[4,5]cyclodéca[1,2-b]furane-7,8,13-triyle [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 620.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.1 mmHg at 25°C
Enthalpy of Vaporization: 105.5±6.0 kJ/mol
Flash Point: 201.0±25.0 °C
Index of Refraction: 1.561
Molar Refractivity: 125.7±0.4 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 1.20
ACD/LogD (pH 5.5): 1.69
ACD/BCF (pH 5.5): 11.27
ACD/KOC (pH 5.5): 197.04
ACD/LogD (pH 7.4): 1.69
ACD/BCF (pH 7.4): 11.27
ACD/KOC (pH 7.4): 197.04
Polar Surface Area: 146 Å2
Polarizability: 49.8±0.5 10-24cm3
Surface Tension: 53.7±5.0 dyne/cm
Molar Volume: 388.3±5.0 cm3

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