ChemSpider 2D Image | briaexcavatolide U | C28H38O13

briaexcavatolide U

  • Molecular FormulaC28H38O13
  • Average mass582.594 Da
  • Monoisotopic mass582.231262 Da
  • ChemSpider ID9941737

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 11 of 11 defined stereocentres

More details:

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

(1S,2S,4S,4aR,5S,7R,8Z,9aS,11aR,12aS,13S,13aS)-1,2-Dihydroxy-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-4,5,7,13-tetrayl tet raacetate [ACD/IUPAC Name]
(1S,2S,4S,4aR,5S,7R,8Z,9aS,11aR,12aS,13S,13aS)-1,2-Dihydroxy-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-4,5,7,13-tetrayl-tet raacetat [German] [ACD/IUPAC Name]
1H-Benzo[4,5]cyclodec[1,2-b]oxireno[c]furan-11(11aH)-one, 4,5,7,13-tetrakis(acetyloxy)-2,3,4,4a,5,6,7,9a,13,13a-decahydro-1,2-dihydroxy-1,4a,8,11a-tetramethyl-, (1S,2S,4S,4aR,5S,7R,8Z,9aS,11aR,12aS,13 S,13aS)- [ACD/Index Name]
briaexcavatolide U
Tetraacétate de (1S,2S,4S,4aR,5S,7R,8Z,9aS,11aR,12aS,13S,13aS)-1,2-dihydroxy-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]furane-4,5 ,7,13-tétrayle [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 644.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.4 mmHg at 25°C
Enthalpy of Vaporization: 109.0±6.0 kJ/mol
Flash Point: 203.0±25.0 °C
Index of Refraction: 1.558
Molar Refractivity: 137.2±0.4 cm3
#H bond acceptors: 13
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 0.98
ACD/LogD (pH 5.5): 1.12
ACD/BCF (pH 5.5): 4.16
ACD/KOC (pH 5.5): 96.49
ACD/LogD (pH 7.4): 1.12
ACD/BCF (pH 7.4): 4.16
ACD/KOC (pH 7.4): 96.49
Polar Surface Area: 184 Å2
Polarizability: 54.4±0.5 10-24cm3
Surface Tension: 57.3±5.0 dyne/cm
Molar Volume: 425.3±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement