ChemSpider 2D Image | (4aS,5S,6aS,7R,10aR,11aS,11bR)-10a-Hydroxy-4,4,7,11b-tetramethyl-9-oxo-1,2,3,4,4a,5,6,6a,7,9,10a,11,11a,11b-tetradecahydrophenanthro[3,2-b]furan-5-yl acetate | C22H32O5

(4aS,5S,6aS,7R,10aR,11aS,11bR)-10a-Hydroxy-4,4,7,11b-tetramethyl-9-oxo-1,2,3,4,4a,5,6,6a,7,9,10a,11,11a,11b-tetradecahydrophenanthro[3,2-b]furan-5-yl acetate

  • Molecular FormulaC22H32O5
  • Average mass376.487 Da
  • Monoisotopic mass376.224976 Da
  • ChemSpider ID23329874

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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(4aS,5S,6aS,7R,10aR,11aS,11bR)-10a-Hydroxy-4,4,7,11b-tetramethyl-9-oxo-1,2,3,4,4a,5,6,6a,7,9,10a,11,11a,11b-tetradecahydrophenanthro[3,2-b]furan-5-yl acetate [ACD/IUPAC Name]
(4aS,5S,6aS,7R,10aR,11aS,11bR)-10a-Hydroxy-4,4,7,11b-tetramethyl-9-oxo-1,2,3,4,4a,5,6,6a,7,9,10a,11,11a,11b-tetradecahydrophenanthro[3,2-b]furan-5-yl-acetat [German] [ACD/IUPAC Name]
Acétate de (4aS,5S,6aS,7R,10aR,11aS,11bR)-10a-hydroxy-4,4,7,11b-tétraméthyl-9-oxo-1,2,3,4,4a,5,6,6a,7,9,10a,11,11a,11b-tétradécahydrophénanthro[3,2-b]furan-5-yle [French] [ACD/IUPAC Name]
Phenanthro[3,2-b]furan-9(1H)-one, 5-(acetyloxy)-2,3,4,4a,5,6,6a,7,10a,11,11a,11b-dodecahydro-10a-hydroxy-4,4,7,11b-tetramethyl-, (4aS,5S,6aS,7R,10aR,11aS,11bR)- [ACD/Index Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL514119/
sucutinirane A

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

Density: 1.2±0.1 g/cm3
Boiling Point: 516.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 90.7±6.0 kJ/mol
Flash Point: 174.9±23.6 °C
Index of Refraction: 1.550
Molar Refractivity: 100.6±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.49
ACD/LogD (pH 5.5): 3.63
ACD/BCF (pH 5.5): 337.58
ACD/KOC (pH 5.5): 2246.05
ACD/LogD (pH 7.4): 3.63
ACD/BCF (pH 7.4): 337.38
ACD/KOC (pH 7.4): 2244.71
Polar Surface Area: 73 Å2
Polarizability: 39.9±0.5 10-24cm3
Surface Tension: 46.5±5.0 dyne/cm
Molar Volume: 315.6±5.0 cm3

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