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Search term: GGXSRRQDZBNXLG (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (4aR,6aS,10aR)-10a-Hydroxy-4a,6a-dimethyl-7-oxo-1,2,3,4,4a,4b,5,6,6a,7,7a,8,8a,8b,8c,10a-hexadecahydrocyclopropa[4,5]cyclopenta[1,2-a]phenanthren-2-yl acetate | C22H30O4

(4aR,6aS,10aR)-10a-Hydroxy-4a,6a-dimethyl-7-oxo-1,2,3,4,4a,4b,5,6,6a,7,7a,8,8a,8b,8c,10a-hexadecahydrocyclopropa[4,5]cyclopenta[1,2-a]phenanthren-2-yl acetate

  • Molecular FormulaC22H30O4
  • Average mass358.471 Da
  • Monoisotopic mass358.214417 Da
  • ChemSpider ID30650802

  • defined stereocentres - 3 of 9 defined stereocentres

More details:

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

(4aR,6aS,10aR)-10a-Hydroxy-4a,6a-dimethyl-7-oxo-1,2,3,4,4a,4b,5,6,6a,7,7a,8,8a,8b,8c,10a-hexadecahydrocyclopropa[4,5]cyclopenta[1,2-a]phenanthren-2-yl acetate [ACD/IUPAC Name]
(4aR,6aS,10aR)-10a-Hydroxy-4a,6a-dimethyl-7-oxo-1,2,3,4,4a,4b,5,6,6a,7,7a,8,8a,8b,8c,10a-hexadecahydrocyclopropa[4,5]cyclopenta[1,2-a]phenanthren-2-yl-acetat [German] [ACD/IUPAC Name]
Acétate de (4aR,6aS,10aR)-10a-hydroxy-4a,6a-diméthyl-7-oxo-1,2,3,4,4a,4b,5,6,6a,7,7a,8,8a,8b,8c,10a-hexadécahydrocyclopropa[4,5]cyclopenta[1,2-a]phénanthrén-2-yle [French] [ACD/IUPAC Name]
Cyclopropa[4,5]cyclopenta[1,2-a]phenanthren-7(1H)-one, 2-(acetyloxy)-2,3,4,4a,4b,5,6,6a,7a,8,8a,8b,8c,10a-tetradecahydro-10a-hydroxy-4a,6a-dimethyl-, (4aR,6aS,10aR)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 467.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 84.2±6.0 kJ/mol
Flash Point: 158.3±22.2 °C
Index of Refraction: 1.580
Molar Refractivity: 97.0±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.24
ACD/LogD (pH 5.5): 2.78
ACD/BCF (pH 5.5): 76.48
ACD/KOC (pH 5.5): 776.00
ACD/LogD (pH 7.4): 2.78
ACD/BCF (pH 7.4): 76.48
ACD/KOC (pH 7.4): 776.00
Polar Surface Area: 64 Å2
Polarizability: 38.5±0.5 10-24cm3
Surface Tension: 50.2±5.0 dyne/cm
Molar Volume: 291.5±5.0 cm3

Click to predict properties on the Chemicalize site


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