ChemSpider 2D Image | (3aS,4R,5aR,6R,9aS)-4-Hydroxy-9a-(3-hydroxy-1-propen-2-yl)-6-isopropyl-3a,5a-dimethyl-3,3a,4,5,5a,6,7,9a-octahydroazuleno[5,6-b]furan-2,8-dione | C20H28O5

(3aS,4R,5aR,6R,9aS)-4-Hydroxy-9a-(3-hydroxy-1-propen-2-yl)-6-isopropyl-3a,5a-dimethyl-3,3a,4,5,5a,6,7,9a-octahydroazuleno[5,6-b]furan-2,8-dione

  • Molecular FormulaC20H28O5
  • Average mass348.433 Da
  • Monoisotopic mass348.193665 Da
  • ChemSpider ID78443581

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(3aS,4R,5aR,6R,9aS)-4-Hydroxy-9a-(3-hydroxy-1-propen-2-yl)-6-isopropyl-3a,5a-dimethyl-3,3a,4,5,5a,6,7,9a-octahydroazuleno[5,6-b]furan-2,8-dion [German] [ACD/IUPAC Name]
(3aS,4R,5aR,6R,9aS)-4-Hydroxy-9a-(3-hydroxy-1-propen-2-yl)-6-isopropyl-3a,5a-dimethyl-3,3a,4,5,5a,6,7,9a-octahydroazuleno[5,6-b]furan-2,8-dione [ACD/IUPAC Name]
(3aS,4R,5aR,6R,9aS)-4-Hydroxy-9a-(3-hydroxy-1-propén-2-yl)-6-isopropyl-3a,5a-diméthyl-3,3a,4,5,5a,6,7,9a-octahydroazuléno[5,6-b]furane-2,8-dione [French] [ACD/IUPAC Name]
Azuleno[5,6-b]furan-2,8-dione, 3,3a,4,5,5a,6,7,9a-octahydro-4-hydroxy-9a-[1-(hydroxymethyl)ethenyl]-3a,5a-dimethyl-6-(1-methylethyl)-, (3aS,4R,5aR,6R,9aS)- [ACD/Index Name]
Trichoaurantianolide B

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

Density: 1.2±0.1 g/cm3
Boiling Point: 541.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 94.2±6.0 kJ/mol
Flash Point: 189.9±23.6 °C
Index of Refraction: 1.559
Molar Refractivity: 92.7±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.13
ACD/LogD (pH 5.5): 1.53
ACD/BCF (pH 5.5): 8.60
ACD/KOC (pH 5.5): 162.31
ACD/LogD (pH 7.4): 1.53
ACD/BCF (pH 7.4): 8.60
ACD/KOC (pH 7.4): 162.31
Polar Surface Area: 84 Å2
Polarizability: 36.8±0.5 10-24cm3
Surface Tension: 48.9±5.0 dyne/cm
Molar Volume: 287.2±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement