ChemSpider 2D Image | (1aS,2R,3aS,4aR,8aR,10aR)-4a-Hydroxy-1a-isopropyl-3a,8a-dimethyl-5-methylene-10-oxododecahydro-1aH-benzo[5,6]azuleno[1,8a-b]oxiren-2-yl acetate | C22H32O5

(1aS,2R,3aS,4aR,8aR,10aR)-4a-Hydroxy-1a-isopropyl-3a,8a-dimethyl-5-methylene-10-oxododecahydro-1aH-benzo[5,6]azuleno[1,8a-b]oxiren-2-yl acetate

  • Molecular FormulaC22H32O5
  • Average mass376.487 Da
  • Monoisotopic mass376.224976 Da
  • ChemSpider ID35517035

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(1aS,2R,3aS,4aR,8aR,10aR)-4a-Hydroxy-1a-isopropyl-3a,8a-dimethyl-5-methylen-10-oxododecahydro-1aH-benzo[5,6]azuleno[1,8a-b]oxiren-2-yl-acetat [German] [ACD/IUPAC Name]
(1aS,2R,3aS,4aR,8aR,10aR)-4a-Hydroxy-1a-isopropyl-3a,8a-dimethyl-5-methylene-10-oxododecahydro-1aH-benzo[5,6]azuleno[1,8a-b]oxiren-2-yl acetate [ACD/IUPAC Name]
10H-Benz[5,6]azuleno[1,8a-b]oxiren-10-one, 2-(acetyloxy)dodecahydro-4a-hydroxy-3a,8a-dimethyl-5-methylene-1a-(1-methylethyl)-, (1aS,2R,3aS,4aR,8aR,10aR)- [ACD/Index Name]
Acétate de (1aS,2R,3aS,4aR,8aR,10aR)-4a-hydroxy-1a-isopropyl-3a,8a-diméthyl-5-méthylène-10-oxododécahydro-1aH-benzo[5,6]azuléno[1,8a-b]oxirén-2-yle [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 476.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 85.4±6.0 kJ/mol
Flash Point: 158.5±22.2 °C
Index of Refraction: 1.548
Molar Refractivity: 100.5±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.13
ACD/LogD (pH 5.5): 2.75
ACD/BCF (pH 5.5): 72.48
ACD/KOC (pH 5.5): 746.74
ACD/LogD (pH 7.4): 2.75
ACD/BCF (pH 7.4): 72.48
ACD/KOC (pH 7.4): 746.74
Polar Surface Area: 76 Å2
Polarizability: 39.9±0.5 10-24cm3
Surface Tension: 46.0±5.0 dyne/cm
Molar Volume: 316.5±5.0 cm3

Click to predict properties on the Chemicalize site


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