ChemSpider 2D Image | (5aS,5bR,7aS,11aR,11bS,13R,13aS)-11a-(Acetoxymethyl)-5b,8,8,13a-tetramethyl-4,5,5a,5b,6,7,7a,8,9,10,11,11a,11b,12,13,13a-hexadecahydrochryseno[1,2-c]furan-13-yl acetate | C29H42O5

(5aS,5bR,7aS,11aR,11bS,13R,13aS)-11a-(Acetoxymethyl)-5b,8,8,13a-tetramethyl-4,5,5a,5b,6,7,7a,8,9,10,11,11a,11b,12,13,13a-hexadecahydrochryseno[1,2-c]furan-13-yl acetate

  • Molecular FormulaC29H42O5
  • Average mass470.641 Da
  • Monoisotopic mass470.303223 Da
  • ChemSpider ID29215588

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(5aS,5bR,7aS,11aR,11bS,13R,13aS)-11a-(Acetoxymethyl)-5b,8,8,13a-tetramethyl-4,5,5a,5b,6,7,7a,8,9,10,11,11a,11b,12,13,13a-hexadecahydrochryseno[1,2-c]furan-13-yl acetate [ACD/IUPAC Name]
(5aS,5bR,7aS,11aR,11bS,13R,13aS)-11a-(Acetoxymethyl)-5b,8,8,13a-tetramethyl-4,5,5a,5b,6,7,7a,8,9,10,11,11a,11b,12,13,13a-hexadecahydrochryseno[1,2-c]furan-13-yl-acetat [German] [ACD/IUPAC Name]
Acétate de (5aS,5bR,7aS,11aR,11bS,13R,13aS)-11a-(acétoxyméthyl)-5b,8,8,13a-tétraméthyl-4,5,5a,5b,6,7,7a,8,9,10,11,11a,11b,12,13,13a-hexadécahydrochryséno[1,2-c]furan-13-yle [French] [ACD/IUPAC Name]
Chryseno[1,2-c]furan-11a(4H)-methanol, 13-(acetyloxy)-5,5a,5b,6,7,7a,8,9,10,11,11b,12,13,13a-tetradecahydro-5b,8,8,13a-tetramethyl-, acetate, (5aS,5bR,7aS,11aR,11bS,13R,13aS)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 515.4±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.7±3.0 kJ/mol
Flash Point: 265.5±27.3 °C
Index of Refraction: 1.543
Molar Refractivity: 130.5±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 8.07
ACD/LogD (pH 5.5): 7.47
ACD/BCF (pH 5.5): 279775.56
ACD/KOC (pH 5.5): 275677.03
ACD/LogD (pH 7.4): 7.47
ACD/BCF (pH 7.4): 279775.56
ACD/KOC (pH 7.4): 275677.03
Polar Surface Area: 66 Å2
Polarizability: 51.7±0.5 10-24cm3
Surface Tension: 44.5±5.0 dyne/cm
Molar Volume: 413.9±5.0 cm3

Click to predict properties on the Chemicalize site


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