ChemSpider 2D Image | (1aR,5aR,5bS,8S,8aS,9aS,9bS,9cR,9dR)-5a,7a-Dimethyl-1,1a,5b,6,7,7a,8a,9,9a,9b,9c,9d-dodecahydro-3'H-spiro[cyclopropa[4,5]cyclopenta[1,2-a]cyclopropa[l]phenanthrene-8,2'-furan]-3,5'(4'H,5aH)-dione | C24H28O3

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

  • Molecular FormulaC24H28O3
  • Average mass364.477 Da
  • Monoisotopic mass364.203857 Da
  • ChemSpider ID58817500

  • defined stereocentres - 9 of 10 defined stereocentres

More details:

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

(1aR,5aR,5bS,8S,8aS,9aS,9bS,9cR,9dR)-5a,7a-Dimethyl-1,1a,5b,6,7,7a,8a,9,9a,9b,9c,9d-dodecahydro-3'H-spiro[cyclopropa[4,5]cyclopenta[1,2-a]cyclopropa[l]phenanthrene-8,2'-furan]-3,5'(4'H,5aH)-dione [ACD/IUPAC Name]
Spiro[8H-cyclopropa[4,5]cyclopenta[1,2-a]cyclopropa[l]phenanthrene-8,2'(5'H)-furan]-3,5'(6H)-dione, 1,1a,3',4',5a,5b,7,7a,8a,9,9a,9b,9c,9d-tetradecahydro-5a,7a-dimethyl-, (1aR,5aR,5bS,8S,8aS,9aS,9bS,9 cR,9dR)- [ACD/Index Name]
74220-07-8 [RN]
Spirorenone [INN]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 556.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 83.8±3.0 kJ/mol
Flash Point: 243.7±30.2 °C
Index of Refraction: 1.628
Molar Refractivity: 100.3±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 3.18
ACD/LogD (pH 5.5): 3.46
ACD/BCF (pH 5.5): 249.21
ACD/KOC (pH 5.5): 1807.48
ACD/LogD (pH 7.4): 3.46
ACD/BCF (pH 7.4): 249.21
ACD/KOC (pH 7.4): 1807.48
Polar Surface Area: 43 Å2
Polarizability: 39.8±0.5 10-24cm3
Surface Tension: 52.7±5.0 dyne/cm
Molar Volume: 282.7±5.0 cm3

Click to predict properties on the Chemicalize site


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