ChemSpider 2D Image | (3aR,3bS,4R,5aS,9aR,9bR,10S,11aR)-10-Hydroxy-3b,6,6-trimethyl-1-oxo-9a-[(propionyloxy)methyl]hexadecahydrophenanthro[1,2-c]furan-4-yl 3-methylbutanoate | C28H44O7

(3aR,3bS,4R,5aS,9aR,9bR,10S,11aR)-10-Hydroxy-3b,6,6-trimethyl-1-oxo-9a-[(propionyloxy)methyl]hexadecahydrophenanthro[1,2-c]furan-4-yl 3-methylbutanoate

  • Molecular FormulaC28H44O7
  • Average mass492.645 Da
  • Monoisotopic mass492.308716 Da
  • ChemSpider ID61708425

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(3aR,3bS,4R,5aS,9aR,9bR,10S,11aR)-10-Hydroxy-3b,6,6-trimethyl-1-oxo-9a-[(propionyloxy)methyl]hexadecahydrophenanthro[1,2-c]furan-4-yl 3-methylbutanoate [ACD/IUPAC Name]
(3aR,3bS,4R,5aS,9aR,9bR,10S,11aR)-10-Hydroxy-3b,6,6-trimethyl-1-oxo-9a-[(propionyloxy)methyl]hexadecahydrophenanthro[1,2-c]furan-4-yl-3-methylbutanoat [German] [ACD/IUPAC Name]
3-Méthylbutanoate de (3aR,3bS,4R,5aS,9aR,9bR,10S,11aR)-10-hydroxy-3b,6,6-triméthyl-1-oxo-9a-[(propionyloxy)méthyl]hexadécahydrophénanthro[1,2-c]furan-4-yle [French] [ACD/IUPAC Name]
Butanoic acid, 3-methyl-, (3aR,3bS,4R,5aS,9aR,9bR,10S,11aR)-hexadecahydro-10-hydroxy-3b,6,6-trimethyl-1-oxo-9a-[(1-oxopropoxy)methyl]phenanthro[1,2-c]furan-4-yl ester [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: 584.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.7 mmHg at 25°C
Enthalpy of Vaporization: 100.2±6.0 kJ/mol
Flash Point: 183.5±23.6 °C
Index of Refraction: 1.529
Molar Refractivity: 130.5±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 4.48
ACD/LogD (pH 5.5): 4.55
ACD/BCF (pH 5.5): 1675.24
ACD/KOC (pH 5.5): 7069.55
ACD/LogD (pH 7.4): 4.55
ACD/BCF (pH 7.4): 1675.24
ACD/KOC (pH 7.4): 7069.55
Polar Surface Area: 99 Å2
Polarizability: 51.7±0.5 10-24cm3
Surface Tension: 46.0±5.0 dyne/cm
Molar Volume: 423.2±5.0 cm3

Click to predict properties on the Chemicalize site


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