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

(1aS,5aR,5bS,8R,10aS,10bR,10cS)-5a,7a-Dimethyl-1,1a,3',4,4',5,5a,5b,6,7,7a,9,10,10a,10b,10c-hexadecahydro-3H,5'H-spiro[cyclopenta[a]cyclopropa[l]phenanthrene-8,2'-furan]-3,5'-dione

  • Molecular FormulaC23H30O3
  • Average mass354.483 Da
  • Monoisotopic mass354.219482 Da
  • ChemSpider ID58817293

  • defined stereocentres - 7 of 8 defined stereocentres

More details:

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

(1aS,5aR,5bS,8R,10aS,10bR,10cS)-5a,7a-Dimethyl-1,1a,3',4,4',5,5a,5b,6,7,7a,9,10,10a,10b,10c-hexadecahydro-3H,5'H-spiro[cyclopenta[a]cyclopropa[l]phenanthrene-8,2'-furan]-3,5'-dione [ACD/IUPAC Name]
Spiro[cyclopenta[a]cyclopropa[l]phenanthrene-8(3H),2'(5'H)-furan]-3,5'-dione, 1,1a,3',4,4',5,5a,5b,6,7,7a,9,10,10a,10b,10c-hexadecahydro-5a,7a-dimethyl-, (1aS,5aR,5bS,8R,10aS,10bR,10cS)- [ACD/Index Name]
49848-04-6 [RN]
Prorenone

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

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): 2.99
ACD/BCF (pH 5.5): 110.76
ACD/KOC (pH 5.5): 1011.56
ACD/LogD (pH 7.4): 2.99
ACD/BCF (pH 7.4): 110.76
ACD/KOC (pH 7.4): 1011.56
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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