ChemSpider 2D Image | (4aS,4bR,6aR,10aS,10bS,12aS)-10a,12a-Dimethyltetradecahydro-2H-naphtho[2,1-f]chromene-2,8(4bH)-dione | C19H28O3

(4aS,4bR,6aR,10aS,10bS,12aS)-10a,12a-Dimethyltetradecahydro-2H-naphtho[2,1-f]chromene-2,8(4bH)-dione

  • Molecular FormulaC19H28O3
  • Average mass304.424 Da
  • Monoisotopic mass304.203857 Da
  • ChemSpider ID107447081
  • defined stereocentres - 6 of 6 defined stereocentres


More details:






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

(4aS,4bR,6aR,10aS,10bS,12aS)-10a,12a-Dimethyltetradecahydro-2H-naphtho[2,1-f]chromen-2,8(4bH)-dion [German] [ACD/IUPAC Name]
(4aS,4bR,6aR,10aS,10bS,12aS)-10a,12a-Dimethyltetradecahydro-2H-naphtho[2,1-f]chromene-2,8(4bH)-dione [ACD/IUPAC Name]
(4aS,4bR,6aR,10aS,10bS,12aS)-10a,12a-Diméthyltétradécahydro-2H-naphto[2,1-f]chromène-2,8(4bH)-dione [French] [ACD/IUPAC Name]
2H-Phenanthro[2,1-b]pyran-2,8(4bH)-dione, tetradecahydro-10a,12a-dimethyl-, (4aS,4bR,6aR,10aS,10bS,12aS)- [ACD/Index Name]
911456-65-0 [RN]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 456.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 71.6±3.0 kJ/mol
Flash Point: 200.5±28.8 °C
Index of Refraction: 1.518
Molar Refractivity: 83.6±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 2.78
ACD/LogD (pH 5.5): 3.15
ACD/BCF (pH 5.5): 146.15
ACD/KOC (pH 5.5): 1233.62
ACD/LogD (pH 7.4): 3.15
ACD/BCF (pH 7.4): 146.15
ACD/KOC (pH 7.4): 1233.62
Polar Surface Area: 43 Å2
Polarizability: 33.2±0.5 10-24cm3
Surface Tension: 38.7±3.0 dyne/cm
Molar Volume: 275.9±3.0 cm3

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