Found 1 result

Search term: 8183262 (Found by CSID)
ChemSpider 2D Image | (2S,4S)-2-[(3R,3aR,5R,5bS,10bR)-5-Hydroxy-3a,5b-dimethyl-8,10-dioxo-1,2,3,3a,4,5,5b,6,7,8,9,9a,10,10b-tetradecahydrocyclopenta[a]fluoren-3-yl]-5,6-dimethyl-3-oxo-4-heptanyl benzoate | C34H44O6

(2S,4S)-2-[(3R,3aR,5R,5bS,10bR)-5-Hydroxy-3a,5b-dimethyl-8,10-dioxo-1,2,3,3a,4,5,5b,6,7,8,9,9a,10,10b-tetradecahydrocyclopenta[a]fluoren-3-yl]-5,6-dimethyl-3-oxo-4-heptanyl benzoate

  • Molecular FormulaC34H44O6
  • Average mass548.710 Da
  • Monoisotopic mass548.313782 Da
  • ChemSpider ID8183262

  • defined stereocentres - 7 of 9 defined stereocentres

More details:

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

(2S,4S)-2-[(3R,3aR,5R,5bS,10bR)-5-Hydroxy-3a,5b-dimethyl-8,10-dioxo-1,2,3,3a,4,5,5b,6,7,8,9,9a,10,10b-tetradecahydrocyclopenta[a]fluoren-3-yl]-5,6-dimethyl-3-oxo-4-heptanyl benzoate [ACD/IUPAC Name]
(2S,4S)-2-[(3R,3aR,5R,5bS,10bR)-5-Hydroxy-3a,5b-dimethyl-8,10-dioxo-1,2,3,3a,4,5,5b,6,7,8,9,9a,10,10b-tetradecahydrocyclopenta[a]fluoren-3-yl]-5,6-dimethyl-3-oxo-4-heptanyl-benzoat [German] [ACD/IUPAC Name]
Benzoate de (2S,4S)-2-[(3R,3aR,5R,5bS,10bR)-5-hydroxy-3a,5b-diméthyl-8,10-dioxo-1,2,3,3a,4,5,5b,6,7,8,9,9a,10,10b-tétradécahydrocyclopenta[a]fluorén-3-yl]-5,6-diméthyl-3-oxo-4-heptanyle [French] [ACD/IUPAC Name]
Cyclopenta[a]fluorene-8,10-dione, 3-[(1S,3S)-3-(benzoyloxy)-1,4,5-trimethyl-2-oxohexyl]-1,2,3,3a,4,5,5b,6,7,9,9a,10b-dodecahydro-5-hydroxy-3a,5b-dimethyl-, (3R,3aR,5R,5bS,10bR)- [ACD/Index Name]
laschiatrion

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

Density: 1.2±0.1 g/cm3
Boiling Point: 695.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 107.0±3.0 kJ/mol
Flash Point: 217.9±25.0 °C
Index of Refraction: 1.572
Molar Refractivity: 151.3±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 5.25
ACD/LogD (pH 5.5): 5.18
ACD/BCF (pH 5.5): 5053.33
ACD/KOC (pH 5.5): 15581.64
ACD/LogD (pH 7.4): 5.18
ACD/BCF (pH 7.4): 5053.33
ACD/KOC (pH 7.4): 15581.64
Polar Surface Area: 98 Å2
Polarizability: 60.0±0.5 10-24cm3
Surface Tension: 50.0±5.0 dyne/cm
Molar Volume: 459.5±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement