ChemSpider 2D Image | (1S)-1-Hydroxy-1,10a,12a-trimethyl-8-oxo-1,2,3,4,4a,4b,5,6,8,9,10,10a,10b,11,12,12a-hexadecahydro-2-chrysenyl acetate | C23H34O4

(1S)-1-Hydroxy-1,10a,12a-trimethyl-8-oxo-1,2,3,4,4a,4b,5,6,8,9,10,10a,10b,11,12,12a-hexadecahydro-2-chrysenyl acetate

  • Molecular FormulaC23H34O4
  • Average mass374.514 Da
  • Monoisotopic mass374.245697 Da
  • ChemSpider ID26637792

  • defined stereocentres - 1 of 7 defined stereocentres

More details:

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

(1S)-1-Hydroxy-1,10a,12a-trimethyl-8-oxo-1,2,3,4,4a,4b,5,6,8,9,10,10a,10b,11,12,12a-hexadecahydro-2-chrysenyl acetate [ACD/IUPAC Name]
(1S)-1-Hydroxy-1,10a,12a-trimethyl-8-oxo-1,2,3,4,4a,4b,5,6,8,9,10,10a,10b,11,12,12a-hexadecahydro-2-chrysenyl-acetat [German] [ACD/IUPAC Name]
2(3H)-Chrysenone, 8-(acetyloxy)-4,4a,4b,5,6,6a,7,8,9,10,10a,10b,11,12-tetradecahydro-7-hydroxy-4a,6a,7-trimethyl-, (7S)- [ACD/Index Name]
Acétate de (1S)-1-hydroxy-1,10a,12a-triméthyl-8-oxo-1,2,3,4,4a,4b,5,6,8,9,10,10a,10b,11,12,12a-hexadécahydro-2-chrysényle [French] [ACD/IUPAC 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: 488.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 87.0±6.0 kJ/mol
Flash Point: 161.7±22.2 °C
Index of Refraction: 1.550
Molar Refractivity: 103.5±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.63
ACD/LogD (pH 5.5): 4.01
ACD/BCF (pH 5.5): 662.60
ACD/KOC (pH 5.5): 3639.60
ACD/LogD (pH 7.4): 4.01
ACD/BCF (pH 7.4): 662.60
ACD/KOC (pH 7.4): 3639.60
Polar Surface Area: 64 Å2
Polarizability: 41.0±0.5 10-24cm3
Surface Tension: 45.8±5.0 dyne/cm
Molar Volume: 325.1±5.0 cm3

Click to predict properties on the Chemicalize site


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