ChemSpider 2D Image | (4aR,6aS,7S)-4a,6a-Dimethyl-4,4a,4b,6,6a,7a,8,8a,8b,8c,9,10-dodecahydro-3H,3'H-spiro[cyclopropa[4,5]cyclopenta[1,2-a]phenanthrene-7,2'-furan]-2,5'(4'H,5H)-dione | C23H30O3

(4aR,6aS,7S)-4a,6a-Dimethyl-4,4a,4b,6,6a,7a,8,8a,8b,8c,9,10-dodecahydro-3H,3'H-spiro[cyclopropa[4,5]cyclopenta[1,2-a]phenanthrene-7,2'-furan]-2,5'(4'H,5H)-dione

  • Molecular FormulaC23H30O3
  • Average mass354.483 Da
  • Monoisotopic mass354.219482 Da
  • ChemSpider ID30650807

  • defined stereocentres - 3 of 8 defined stereocentres

More details:

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

(4aR,6aS,7S)-4a,6a-Dimethyl-4,4a,4b,6,6a,7a,8,8a,8b,8c,9,10-dodecahydro-3H,3'H-spiro[cyclopropa[4,5]cyclopenta[1,2-a]phenanthrene-7,2'-furan]-2,5'(4'H,5H)-dione [ACD/IUPAC Name]
Spiro[cyclopropa[4,5]cyclopenta[1,2-a]phenanthrene-7(3H),2'(5'H)-furan]-2,5'(5H)-dione, 3',4,4',4a,4b,6,6a,7a,8,8a,8b,8c,9,10-tetradecahydro-4a,6a-dimethyl-, (4aR,6aS,7S)- [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: 537.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.4±3.0 kJ/mol
Flash Point: 235.3±30.2 °C
Index of Refraction: 1.588
Molar Refractivity: 97.9±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 3.30
ACD/LogD (pH 5.5): 3.30
ACD/BCF (pH 5.5): 191.07
ACD/KOC (pH 5.5): 1494.45
ACD/LogD (pH 7.4): 3.30
ACD/BCF (pH 7.4): 191.07
ACD/KOC (pH 7.4): 1494.45
Polar Surface Area: 43 Å2
Polarizability: 38.8±0.5 10-24cm3
Surface Tension: 48.6±5.0 dyne/cm
Molar Volume: 290.8±5.0 cm3

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