ChemSpider 2D Image | (3aS,5aR,6R,8aR)-6-[(2R,3E,5S)-7-Hydroxy-5,6-dimethyl-3-hepten-2-yl]-5a-methyl-3a,4,5,5a,6,7,8,8a-octahydro-2H-indeno[5,4-b]furan-2-one | C21H32O3

(3aS,5aR,6R,8aR)-6-[(2R,3E,5S)-7-Hydroxy-5,6-dimethyl-3-hepten-2-yl]-5a-methyl-3a,4,5,5a,6,7,8,8a-octahydro-2H-indeno[5,4-b]furan-2-one

  • Molecular FormulaC21H32O3
  • Average mass332.477 Da
  • Monoisotopic mass332.235138 Da
  • ChemSpider ID78442299

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 6 of 7 defined stereocentres

More details:

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

(3aS,5aR,6R,8aR)-6-[(2R,3E,5S)-7-Hydroxy-5,6-dimethyl-3-hepten-2-yl]-5a-methyl-3a,4,5,5a,6,7,8,8a-octahydro-2H-indeno[5,4-b]furan-2-on [German] [ACD/IUPAC Name]
(3aS,5aR,6R,8aR)-6-[(2R,3E,5S)-7-Hydroxy-5,6-dimethyl-3-hepten-2-yl]-5a-methyl-3a,4,5,5a,6,7,8,8a-octahydro-2H-indeno[5,4-b]furan-2-one [ACD/IUPAC Name]
(3aS,5aR,6R,8aR)-6-[(2R,3E,5S)-7-Hydroxy-5,6-diméthyl-3-heptén-2-yl]-5a-méthyl-3a,4,5,5a,6,7,8,8a-octahydro-2H-indéno[5,4-b]furan-2-one [French] [ACD/IUPAC Name]
2H-Indeno[5,4-b]furan-2-one, 3a,4,5,5a,6,7,8,8a-octahydro-6-[(1R,2E,4S)-6-hydroxy-1,4,5-trimethyl-2-hexen-1-yl]-5a-methyl-, (3aS,5aR,6R,8aR)- [ACD/Index Name]
Camphosterol A

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

Density: 1.1±0.1 g/cm3
Boiling Point: 495.4±20.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 87.9±6.0 kJ/mol
Flash Point: 198.1±14.5 °C
Index of Refraction: 1.535
Molar Refractivity: 96.0±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.01
ACD/LogD (pH 5.5): 3.97
ACD/BCF (pH 5.5): 617.44
ACD/KOC (pH 5.5): 3460.27
ACD/LogD (pH 7.4): 3.97
ACD/BCF (pH 7.4): 617.44
ACD/KOC (pH 7.4): 3460.27
Polar Surface Area: 47 Å2
Polarizability: 38.1±0.5 10-24cm3
Surface Tension: 41.1±5.0 dyne/cm
Molar Volume: 308.4±5.0 cm3

Click to predict properties on the Chemicalize site


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