ChemSpider 2D Image | (1S,2S,3aR,4R,4aS,4bS,6S,8aS,9aR,10R,10aR)-4,8a,10-Triacetoxy-3a,6-dihydroxy-2,4a,6,9a-tetramethyl-8-oxohexadecahydrocyclopenta[b]fluoren-1-yl benzoate | C33H42O11

(1S,2S,3aR,4R,4aS,4bS,6S,8aS,9aR,10R,10aR)-4,8a,10-Triacetoxy-3a,6-dihydroxy-2,4a,6,9a-tetramethyl-8-oxohexadecahydrocyclopenta[b]fluoren-1-yl benzoate

  • Molecular FormulaC33H42O11
  • Average mass614.680 Da
  • Monoisotopic mass614.272705 Da
  • ChemSpider ID76784033

  • defined stereocentres - 11 of 11 defined stereocentres

More details:

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

(1S,2S,3aR,4R,4aS,4bS,6S,8aS,9aR,10R,10aR)-4,8a,10-Triacetoxy-3a,6-dihydroxy-2,4a,6,9a-tetramethyl-8-oxohexadecahydrocyclopenta[b]fluoren-1-yl benzoate [ACD/IUPAC Name]
(1S,2S,3aR,4R,4aS,4bS,6S,8aS,9aR,10R,10aR)-4,8a,10-Triacetoxy-3a,6-dihydroxy-2,4a,6,9a-tetramethyl-8-oxohexadecahydrocyclopenta[b]fluoren-1-yl-benzoat [German] [ACD/IUPAC Name]
Benzoate de (1S,2S,3aR,4R,4aS,4bS,6S,8aS,9aR,10R,10aR)-4,8a,10-triacétoxy-3a,6-dihydroxy-2,4a,6,9a-tétraméthyl-8-oxohexadécahydrocyclopenta[b]fluorén-1-yle [French] [ACD/IUPAC Name]
Cyclopenta[b]fluoren-8(1H)-one, 4,8a,10-tris(acetyloxy)-1-(benzoyloxy)tetradecahydro-3a,6-dihydroxy-2,4a,6,9a-tetramethyl-, (1S,2S,3aR,4R,4aS,4bS,6S,8aS,9aR,10R,10aR)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 666.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 102.9±3.0 kJ/mol
Flash Point: 204.2±25.0 °C
Index of Refraction: 1.582
Molar Refractivity: 154.1±0.4 cm3
#H bond acceptors: 11
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 3.09
ACD/LogD (pH 5.5): 3.25
ACD/BCF (pH 5.5): 172.58
ACD/KOC (pH 5.5): 1389.45
ACD/LogD (pH 7.4): 3.25
ACD/BCF (pH 7.4): 172.58
ACD/KOC (pH 7.4): 1389.44
Polar Surface Area: 163 Å2
Polarizability: 61.1±0.5 10-24cm3
Surface Tension: 58.5±5.0 dyne/cm
Molar Volume: 462.1±5.0 cm3

Click to predict properties on the Chemicalize site


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