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Search term: 23076719 (Found by CSID)
ChemSpider 2D Image | prugosene C1 | C27H36O3

prugosene C1

  • Molecular FormulaC27H36O3
  • Average mass408.573 Da
  • Monoisotopic mass408.266449 Da
  • ChemSpider ID23076719

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(4R,5R)-4-{(1E,3E,5E,7E,9E)-10-[(2S,5R,6R)-5-Hydroxy-3,5,6-trimethyl-5,6-dihydro-2H-pyran-2-yl]-1,3,5,7,9-undecapentaen-1-yl}-2,4,5-trimethyl-2-cyclopenten-1-on [German] [ACD/IUPAC Name]
(4R,5R)-4-{(1E,3E,5E,7E,9E)-10-[(2S,5R,6R)-5-Hydroxy-3,5,6-trimethyl-5,6-dihydro-2H-pyran-2-yl]-1,3,5,7,9-undecapentaen-1-yl}-2,4,5-trimethyl-2-cyclopenten-1-one [ACD/IUPAC Name]
(4R,5R)-4-{(1E,3E,5E,7E,9E)-10-[(2S,5R,6R)-5-Hydroxy-3,5,6-triméthyl-5,6-dihydro-2H-pyran-2-yl]-1,3,5,7,9-undécapentaén-1-yl}-2,4,5-triméthyl-2-cyclopentén-1-one [French] [ACD/IUPAC Name]
2-Cyclopenten-1-one, 4-[(1E,3E,5E,7E,9E)-10-[(2S,5R,6R)-5,6-dihydro-5-hydroxy-3,5,6-trimethyl-2H-pyran-2-yl]-1,3,5,7,9-undecapentaen-1-yl]-2,4,5-trimethyl-, (4R,5R)- [ACD/Index Name]
prugosene C1

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

Density: 1.0±0.1 g/cm3
Boiling Point: 552.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.4 mmHg at 25°C
Enthalpy of Vaporization: 95.7±6.0 kJ/mol
Flash Point: 177.6±23.6 °C
Index of Refraction: 1.560
Molar Refractivity: 127.4±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 5.60
ACD/LogD (pH 5.5): 5.50
ACD/BCF (pH 5.5): 8942.01
ACD/KOC (pH 5.5): 23443.75
ACD/LogD (pH 7.4): 5.50
ACD/BCF (pH 7.4): 8942.00
ACD/KOC (pH 7.4): 23443.75
Polar Surface Area: 47 Å2
Polarizability: 50.5±0.5 10-24cm3
Surface Tension: 38.9±3.0 dyne/cm
Molar Volume: 393.9±3.0 cm3

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