ChemSpider 2D Image | (1aR,2E,4aR,6S,7S,7aR,8R,11aS)-1,1,3,6-Tetramethyl-9-methylene-4-oxo-1,1a,4,5,6,7,7a,8,9,10,11,11a-dodecahydro-4aH-cyclopenta[a]cyclopropa[f][11]annulene-4a,7,8-triyl triacetate | C26H36O7

(1aR,2E,4aR,6S,7S,7aR,8R,11aS)-1,1,3,6-Tetramethyl-9-methylene-4-oxo-1,1a,4,5,6,7,7a,8,9,10,11,11a-dodecahydro-4aH-cyclopenta[a]cyclopropa[f][11]annulene-4a,7,8-triyl triacetate

  • Molecular FormulaC26H36O7
  • Average mass460.560 Da
  • Monoisotopic mass460.246094 Da
  • ChemSpider ID22913835

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(1aR,2E,4aR,6S,7S,7aR,8R,11aS)-1,1,3,6-Tetramethyl-9-methylen-4-oxo-1,1a,4,5,6,7,7a,8,9,10,11,11a-dodecahydro-4aH-cyclopenta[a]cyclopropa[f][11]annulen-4a,7,8-triyl-triacetat [German] [ACD/IUPAC Name]
(1aR,2E,4aR,6S,7S,7aR,8R,11aS)-1,1,3,6-Tetramethyl-9-methylene-4-oxo-1,1a,4,5,6,7,7a,8,9,10,11,11a-dodecahydro-4aH-cyclopenta[a]cyclopropa[f][11]annulene-4a,7,8-triyl triacetate [ACD/IUPAC Name]
4H-Cyclopenta[a]cyclopropa[f]cycloundecen-4-one, 4a,7,8-tris(acetyloxy)-1,1a,4a,5,6,7,7a,8,9,10,11,11a-dodecahydro-1,1,3,6-tetramethyl-9-methylene-, (1aR,2E,4aR,6S,7S,7aR,8R,11aS)- [ACD/Index Name]
Triacétate de (1aR,2E,4aR,6S,7S,7aR,8R,11aS)-1,1,3,6-tétraméthyl-9-méthylène-4-oxo-1,1a,4,5,6,7,7a,8,9,10,11,11a-dodécahydro-4aH-cyclopenta[a]cyclopropa[f][11]annulène-4a,7,8-triyle [French] [ACD/IUPAC Name]
[(1R,3E,5R,7S,12R,13S,14S)-1,11-diacetyloxy-3,6,6,14-tetramethyl-10-methylidene-2-oxo-13-tricyclo[10.3.0.05,7]pentadec-3-enyl] acetate
489459-81-6 [RN]
Compound NP-011148

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

Density: 1.2±0.1 g/cm3
Boiling Point: 524.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 79.9±3.0 kJ/mol
Flash Point: 221.8±30.2 °C
Index of Refraction: 1.523
Molar Refractivity: 121.1±0.4 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 5.17
ACD/LogD (pH 5.5): 5.06
ACD/BCF (pH 5.5): 4149.51
ACD/KOC (pH 5.5): 13531.81
ACD/LogD (pH 7.4): 5.06
ACD/BCF (pH 7.4): 4149.51
ACD/KOC (pH 7.4): 13531.81
Polar Surface Area: 96 Å2
Polarizability: 48.0±0.5 10-24cm3
Surface Tension: 42.8±5.0 dyne/cm
Molar Volume: 396.6±5.0 cm3

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