ChemSpider 2D Image | briaranolide J | C26H32O10

briaranolide J

  • Molecular FormulaC26H32O10
  • Average mass504.526 Da
  • Monoisotopic mass504.199554 Da
  • ChemSpider ID9686526

  • 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

(1S,2R,4S,4aR,5S,6E,8Z,9aS,11aR,12aS,13S,13aS)-1,4a,8,11a-Tetramethyl-11-oxo-2,3,4,4a,5,9a,11,11a,13,13a-decahydro-1H-1,2-epoxybenzo[4,5]cyclodeca[1,2-b]oxireno[c]furan-4,5,13-triyl triacetate [ACD/IUPAC Name]
(1S,2R,4S,4aR,5S,6E,8Z,9aS,11aR,12aS,13S,13aS)-1,4a,8,11a-Tetramethyl-11-oxo-2,3,4,4a,5,9a,11,11a,13,13a-decahydro-1H-1,2-epoxybenzo[4,5]cyclodeca[1,2-b]oxireno[c]furan-4,5,13-triyl-triacetat [German] [ACD/IUPAC Name]
1,2-Epoxy-1H-benzo[4,5]cyclodec[1,2-b]oxireno[c]furan-11(11aH)-one, 4,5,13-tris(acetyloxy)-2,3,4,4a,5,9a,13,13a-octahydro-1,4a,8,11a-tetramethyl-, (1S,2R,4S,4aR,5S,6E,8Z,9aS,11aR,12aS,13S,13aS)- [ACD/Index Name]
briaranolide J
Triacétate de (1S,2R,4S,4aR,5S,6E,8Z,9aS,11aR,12aS,13S,13aS)-1,4a,8,11a-tétraméthyl-11-oxo-2,3,4,4a,5,9a,11,11a,13,13a-décahydro-1H-1,2-époxybenzo[4,5]cyclodéca[1,2-b]oxiréno[c]furane-4,5,13-triyle [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: 590.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 88.1±3.0 kJ/mol
Flash Point: 251.3±30.2 °C
Index of Refraction: 1.566
Molar Refractivity: 122.6±0.4 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 1.77
ACD/LogD (pH 5.5): 1.69
ACD/BCF (pH 5.5): 11.40
ACD/KOC (pH 5.5): 198.63
ACD/LogD (pH 7.4): 1.69
ACD/BCF (pH 7.4): 11.40
ACD/KOC (pH 7.4): 198.63
Polar Surface Area: 130 Å2
Polarizability: 48.6±0.5 10-24cm3
Surface Tension: 52.4±5.0 dyne/cm
Molar Volume: 375.9±5.0 cm3

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