ChemSpider 2D Image | (2R)-3-[(2R,3aS,3bR,5aS,9aS,9bR,11aS)-11a-(Acetoxymethyl)-3b,6,6,9a-tetramethylhexadecahydrophenanthro[2,1-b]furan-2-yl]-5-oxo-2,5-dihydro-2-furanyl acetate | C29H42O7

(2R)-3-[(2R,3aS,3bR,5aS,9aS,9bR,11aS)-11a-(Acetoxymethyl)-3b,6,6,9a-tetramethylhexadecahydrophenanthro[2,1-b]furan-2-yl]-5-oxo-2,5-dihydro-2-furanyl acetate

  • Molecular FormulaC29H42O7
  • Average mass502.640 Da
  • Monoisotopic mass502.293060 Da
  • ChemSpider ID26402934
  • defined stereocentres - 8 of 8 defined stereocentres


More details:






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

(2R)-3-[(2R,3aS,3bR,5aS,9aS,9bR,11aS)-11a-(Acetoxymethyl)-3b,6,6,9a-tetramethylhexadecahydrophenanthro[2,1-b]furan-2-yl]-5-oxo-2,5-dihydro-2-furanyl acetate [ACD/IUPAC Name]
(2R)-3-[(2R,3aS,3bR,5aS,9aS,9bR,11aS)-11a-(Acetoxymethyl)-3b,6,6,9a-tetramethylhexadecahydrophenanthro[2,1-b]furan-2-yl]-5-oxo-2,5-dihydro-2-furanyl-acetat [German] [ACD/IUPAC Name]
2(5H)-Furanone, 5-(acetyloxy)-4-[(2R,3aS,3bR,5aS,9aS,9bR,11aS)-11a-[(acetyloxy)methyl]hexadecahydro-3b,6,6,9a-tetramethylphenanthro[2,1-b]furan-2-yl]-, (5R)- [ACD/Index Name]
Acétate de (2R)-3-[(2R,3aS,3bR,5aS,9aS,9bR,11aS)-11a-(acétoxyméthyl)-3b,6,6,9a-tétraméthylhexadécahydrophénanthro[2,1-b]furan-2-yl]-5-oxo-2,5-dihydro-2-furanyle [French] [ACD/IUPAC Name]
acetic acid [(2R,3aS,3bR,5aS,9aS,9bR,11aS)-2-[(2R)-2-acetoxy-5-keto-2H-furan-3-yl]-3b,6,6,9a-tetramethyl-2,3,3a,4,5,5a,7,8,9,9b,10,11-dodecahydronaphtho[2,1-e]benzofuran-11a-yl]methyl ester

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 591.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 88.2±3.0 kJ/mol
Flash Point: 248.6±30.2 °C
Index of Refraction: 1.544
Molar Refractivity: 133.0±0.4 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 5.93
ACD/LogD (pH 5.5): 5.19
ACD/BCF (pH 5.5): 5196.70
ACD/KOC (pH 5.5): 15896.83
ACD/LogD (pH 7.4): 5.19
ACD/BCF (pH 7.4): 5196.70
ACD/KOC (pH 7.4): 15896.83
Polar Surface Area: 88 Å2
Polarizability: 52.7±0.5 10-24cm3
Surface Tension: 46.4±5.0 dyne/cm
Molar Volume: 421.6±5.0 cm3

Click to predict properties on the Chemicalize site






Advertisement