ChemSpider 2D Image | [(3bR,5aR,6S,7R,8S,9aR,9bR)-8-Acetoxy-7-hydroxy-3b,6,9a-trimethyl-3b,4,5,5a,6,7,8,9,9a,9b,10,11-dodecahydrophenanthro[1,2-c]furan-6-yl]methyl acetate | C24H34O6

[(3bR,5aR,6S,7R,8S,9aR,9bR)-8-Acetoxy-7-hydroxy-3b,6,9a-trimethyl-3b,4,5,5a,6,7,8,9,9a,9b,10,11-dodecahydrophenanthro[1,2-c]furan-6-yl]methyl acetate

  • Molecular FormulaC24H34O6
  • Average mass418.523 Da
  • Monoisotopic mass418.235535 Da
  • ChemSpider ID35516881

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

[(3bR,5aR,6S,7R,8S,9aR,9bR)-8-Acetoxy-7-hydroxy-3b,6,9a-trimethyl-3b,4,5,5a,6,7,8,9,9a,9b,10,11-dodecahydrophenanthro[1,2-c]furan-6-yl]methyl acetate [ACD/IUPAC Name]
[(3bR,5aR,6S,7R,8S,9aR,9bR)-8-Acetoxy-7-hydroxy-3b,6,9a-trimethyl-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 [(3bR,5aR,6S,7R,8S,9aR,9bR)-8-acétoxy-7-hydroxy-3b,6,9a-triméthyl-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-7,8-diol, 6-[(acetyloxy)methyl]-3b,4,5,5a,6,7,8,9,9a,9b,10,11-dodecahydro-3b,6,9a-trimethyl-, 8-acetate, (3bR,5aR,6S,7R,8S,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: 486.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 79.2±3.0 kJ/mol
Flash Point: 248.1±28.7 °C
Index of Refraction: 1.548
Molar Refractivity: 110.9±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.51
ACD/LogD (pH 5.5): 4.57
ACD/BCF (pH 5.5): 1757.50
ACD/KOC (pH 5.5): 7316.32
ACD/LogD (pH 7.4): 4.57
ACD/BCF (pH 7.4): 1757.50
ACD/KOC (pH 7.4): 7316.32
Polar Surface Area: 86 Å2
Polarizability: 44.0±0.5 10-24cm3
Surface Tension: 48.0±5.0 dyne/cm
Molar Volume: 349.0±5.0 cm3

Click to predict properties on the Chemicalize site


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