ChemSpider 2D Image | [(3bS,5aR,6S,7S,9aR,9bR)-7-Hydroxy-3b-(hydroxymethyl)-6,9a-dimethyl-8-oxo-3b,4,5,5a,6,7,8,9,9a,9b,10,11-dodecahydrophenanthro[1,2-c]furan-6-yl]methyl acetate | C22H30O6

[(3bS,5aR,6S,7S,9aR,9bR)-7-Hydroxy-3b-(hydroxymethyl)-6,9a-dimethyl-8-oxo-3b,4,5,5a,6,7,8,9,9a,9b,10,11-dodecahydrophenanthro[1,2-c]furan-6-yl]methyl acetate

  • Molecular FormulaC22H30O6
  • Average mass390.470 Da
  • Monoisotopic mass390.204254 Da
  • ChemSpider ID35516885

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

[(3bS,5aR,6S,7S,9aR,9bR)-7-Hydroxy-3b-(hydroxymethyl)-6,9a-dimethyl-8-oxo-3b,4,5,5a,6,7,8,9,9a,9b,10,11-dodecahydrophenanthro[1,2-c]furan-6-yl]methyl acetate [ACD/IUPAC Name]
[(3bS,5aR,6S,7S,9aR,9bR)-7-Hydroxy-3b-(hydroxymethyl)-6,9a-dimethyl-8-oxo-3b,4,5,5a,6,7,8,9,9a,9b,10,11-dodecahydrophenanthro[1,2-c]furan-6-yl]methyl-acetat [German] [ACD/IUPAC Name]
Acétate de [(3bS,5aR,6S,7S,9aR,9bR)-7-hydroxy-3b-(hydroxyméthyl)-6,9a-diméthyl-8-oxo-3b,4,5,5a,6,7,8,9,9a,9b,10,11-dodécahydrophénanthro[1,2-c]furan-6-yl]méthyle [French] [ACD/IUPAC Name]
Phenanthro[1,2-c]furan-8(4H)-one, 6-[(acetyloxy)methyl]-3b,5,5a,6,7,9,9a,9b,10,11-decahydro-7-hydroxy-3b-(hydroxymethyl)-6,9a-dimethyl-, (3bS,5aR,6S,7S,9aR,9bR)- [ACD/Index 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: 525.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.2±3.0 kJ/mol
Flash Point: 271.5±30.1 °C
Index of Refraction: 1.544
Molar Refractivity: 101.1±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.05
ACD/LogD (pH 5.5): 2.54
ACD/BCF (pH 5.5): 50.12
ACD/KOC (pH 5.5): 573.41
ACD/LogD (pH 7.4): 2.54
ACD/BCF (pH 7.4): 50.12
ACD/KOC (pH 7.4): 573.41
Polar Surface Area: 97 Å2
Polarizability: 40.1±0.5 10-24cm3
Surface Tension: 46.6±3.0 dyne/cm
Molar Volume: 320.5±3.0 cm3

Click to predict properties on the Chemicalize site


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