ChemSpider 2D Image | 3-acetyl-13-deoxyphomenome | C17H22O4

3-acetyl-13-deoxyphomenome

  • Molecular FormulaC17H22O4
  • Average mass290.354 Da
  • Monoisotopic mass290.151794 Da
  • ChemSpider ID27023916

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(1aR,6R,7R,7aR,7bR)-1a-Isopropenyl-7,7a-dimethyl-2-oxo-1a,2,4,5,6,7,7a,7b-octahydronaphtho[1,2-b]oxiren-6-yl acetate [ACD/IUPAC Name]
(1aR,6R,7R,7aR,7bR)-1a-Isopropenyl-7,7a-dimethyl-2-oxo-1a,2,4,5,6,7,7a,7b-octahydronaphtho[1,2-b]oxiren-6-yl-acetat [German] [ACD/IUPAC Name]
3-acetyl-13-deoxyphomenome
Acétate de (1aR,6R,7R,7aR,7bR)-1a-isopropényl-7,7a-diméthyl-2-oxo-1a,2,4,5,6,7,7a,7b-octahydronaphto[1,2-b]oxirén-6-yle [French] [ACD/IUPAC Name]
Naphth[1,2-b]oxiren-2(1aH)-one, 6-(acetyloxy)-4,5,6,7,7a,7b-hexahydro-7,7a-dimethyl-1a-(1-methylethenyl)-, (1aR,6R,7R,7aR,7bR)- [ACD/Index Name]
[(1aR,6R,7R,7aR,7bR)-7,7a-dimethyl-2-oxo-1a-prop-1-en-2-yl-5,6,7,7b-tetrahydro-4H-naphtho[1,2-b]oxiren-6-yl] acetate
194241-10-6 [RN]
3-acetyl-13-deoxyphomenone
3-O-Acetyl-13-deoxyphomenone

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

Density: 1.2±0.1 g/cm3
Boiling Point: 392.2±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 64.2±3.0 kJ/mol
Flash Point: 171.3±27.9 °C
Index of Refraction: 1.533
Molar Refractivity: 77.5±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.07
ACD/LogD (pH 5.5): 2.56
ACD/BCF (pH 5.5): 51.99
ACD/KOC (pH 5.5): 588.63
ACD/LogD (pH 7.4): 2.56
ACD/BCF (pH 7.4): 51.99
ACD/KOC (pH 7.4): 588.63
Polar Surface Area: 56 Å2
Polarizability: 30.7±0.5 10-24cm3
Surface Tension: 40.4±5.0 dyne/cm
Molar Volume: 249.6±5.0 cm3

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