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Search term: YRVRPIWMDMUJBK (Found by InChIKey (skeleton match))
ChemSpider 2D Image | astrogorgol E | C26H40O2

astrogorgol E

  • Molecular FormulaC26H40O2
  • Average mass384.595 Da
  • Monoisotopic mass384.302826 Da
  • ChemSpider ID27025782

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(1R,3aS,4S,5S,7aR)-4-[2-(5-Hydroxy-2-methylphenyl)ethyl]-7a-methyl-1-[(2R,3E)-5-methyl-3-hexen-2-yl]octahydro-1H-inden-5-ol [ACD/IUPAC Name]
(1R,3aS,4S,5S,7aR)-4-[2-(5-Hydroxy-2-methylphenyl)ethyl]-7a-methyl-1-[(2R,3E)-5-methyl-3-hexen-2-yl]octahydro-1H-inden-5-ol [German] [ACD/IUPAC Name]
(1R,3aS,4S,5S,7aR)-4-[2-(5-Hydroxy-2-méthylphényl)éthyl]-7a-méthyl-1-[(2R,3E)-5-méthyl-3-hexén-2-yl]octahydro-1H-indén-5-ol [French] [ACD/IUPAC Name]
1H-Inden-5-ol, 1-[(1R,2E)-1,4-dimethyl-2-penten-1-yl]octahydro-4-[2-(5-hydroxy-2-methylphenyl)ethyl]-7a-methyl-, (1R,3aS,4S,5S,7aR)- [ACD/Index Name]
astrogorgol E

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

Density: 1.0±0.1 g/cm3
Boiling Point: 510.4±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 82.2±3.0 kJ/mol
Flash Point: 215.9±19.2 °C
Index of Refraction: 1.541
Molar Refractivity: 118.7±0.3 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 7.79
ACD/LogD (pH 5.5): 6.82
ACD/BCF (pH 5.5): 90518.63
ACD/KOC (pH 5.5): 122916.61
ACD/LogD (pH 7.4): 6.82
ACD/BCF (pH 7.4): 90417.81
ACD/KOC (pH 7.4): 122779.70
Polar Surface Area: 40 Å2
Polarizability: 47.1±0.5 10-24cm3
Surface Tension: 39.8±3.0 dyne/cm
Molar Volume: 377.5±3.0 cm3

Click to predict properties on the Chemicalize site


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