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Search term: 78443776 (Found by CSID)
ChemSpider 2D Image | (4R,4aR,6bR,8aR,12bS,14aR)-4,4a,6b,8a,11,11,12b,14a-Octamethyloctadecahydro-1,3(2H,4H)-picenedione | C30H48O2

(4R,4aR,6bR,8aR,12bS,14aR)-4,4a,6b,8a,11,11,12b,14a-Octamethyloctadecahydro-1,3(2H,4H)-picenedione

  • Molecular FormulaC30H48O2
  • Average mass440.701 Da
  • Monoisotopic mass440.365417 Da
  • ChemSpider ID78443776

  • defined stereocentres - 6 of 9 defined stereocentres

More details:

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

(4R,4aR,6bR,8aR,12bS,14aR)-4,4a,6b,8a,11,11,12b,14a-Octamethyloctadecahydro-1,3(2H,4H)-picendion [German] [ACD/IUPAC Name]
(4R,4aR,6bR,8aR,12bS,14aR)-4,4a,6b,8a,11,11,12b,14a-Octamethyloctadecahydro-1,3(2H,4H)-picenedione [ACD/IUPAC Name]
(4R,4aR,6bR,8aR,12bS,14aR)-4,4a,6b,8a,11,11,12b,14a-Octaméthyloctadécahydro-1,3(2H,4H)-picènedione [French] [ACD/IUPAC Name]
1,3(2H,4H)-Picenedione, octadecahydro-4,4a,6b,8a,11,11,12b,14a-octamethyl-, (4R,4aR,6bR,8aR,12bS,14aR)- [ACD/Index Name]
Friedelane-1,3-dione

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

Density: 1.0±0.1 g/cm3
Boiling Point: 510.6±23.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.1±3.0 kJ/mol
Flash Point: 188.5±19.6 °C
Index of Refraction: 1.508
Molar Refractivity: 131.0±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 1
ACD/LogP: 9.22
ACD/LogD (pH 5.5): 8.74
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 1362146.88
ACD/LogD (pH 7.4): 8.74
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 1357959.75
Polar Surface Area: 34 Å2
Polarizability: 51.9±0.5 10-24cm3
Surface Tension: 34.4±3.0 dyne/cm
Molar Volume: 439.5±3.0 cm3

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