ChemSpider 2D Image | 12-O-acetylbriviolide D | C28H36O11

12-O-acetylbriviolide D

  • Molecular FormulaC28H36O11
  • Average mass548.579 Da
  • Monoisotopic mass548.225769 Da
  • ChemSpider ID9888414

  • 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)-12-Hydroxy-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-7,8,11,13-tetrayl tetraacetate [ACD/IUPAC Name]
(3aS,4Z,7R,8R,8aS,11R,12S,12aS,13S)-12-Hydroxy-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-7,8,11,13-tetrayl-tetraacetat [German] [ACD/IUPAC Name]
12-O-acetylbriviolide D
Benzo[4,5]cyclodeca[1,2-b]furan-2(3aH)-one, 7,8,11,13-tetrakis(acetyloxy)-6,7,8,8a,11,12,12a,13-octahydro-12-hydroxy-1,5,8a,12-tetramethyl-, (3aS,4Z,7R,8R,8aS,11R,12S,12aS,13S)- [ACD/Index Name]
Tetraacétate de (3aS,4Z,7R,8R,8aS,11R,12S,12aS,13S)-12-hydroxy-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-7,8,11,13-tétrayle [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: 632.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.2 mmHg at 25°C
Enthalpy of Vaporization: 107.2±6.0 kJ/mol
Flash Point: 200.1±25.0 °C
Index of Refraction: 1.548
Molar Refractivity: 135.3±0.4 cm3
#H bond acceptors: 11
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 1.50
ACD/LogD (pH 5.5): 2.10
ACD/BCF (pH 5.5): 23.24
ACD/KOC (pH 5.5): 330.79
ACD/LogD (pH 7.4): 2.10
ACD/BCF (pH 7.4): 23.24
ACD/KOC (pH 7.4): 330.79
Polar Surface Area: 152 Å2
Polarizability: 53.6±0.5 10-24cm3
Surface Tension: 51.3±5.0 dyne/cm
Molar Volume: 425.9±5.0 cm3

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