ChemSpider 2D Image | (2S,4S,4aS,8aS)-4-[(E)-2-(3-Furyl)vinyl]-4a,8,8-trimethyl-3-methylenedecahydro-2-naphthalenol | C20H28O2

(2S,4S,4aS,8aS)-4-[(E)-2-(3-Furyl)vinyl]-4a,8,8-trimethyl-3-methylenedecahydro-2-naphthalenol

  • Molecular FormulaC20H28O2
  • Average mass300.435 Da
  • Monoisotopic mass300.208923 Da
  • ChemSpider ID128924438

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(2S,4S,4aS,8aS)-4-[(E)-2-(3-Furyl)vinyl]-4a,8,8-trimethyl-3-methylendecahydro-2-naphthalinol [German] [ACD/IUPAC Name]
(2S,4S,4aS,8aS)-4-[(E)-2-(3-Furyl)vinyl]-4a,8,8-triméthyl-3-méthylènedécahydro-2-naphtalénol [French] [ACD/IUPAC Name]
(2S,4S,4aS,8aS)-4-[(E)-2-(3-Furyl)vinyl]-4a,8,8-trimethyl-3-methylenedecahydro-2-naphthalenol [ACD/IUPAC Name]
2-Naphthalenol, 4-[(E)-2-(3-furanyl)ethenyl]decahydro-4a,8,8-trimethyl-3-methylene-, (2S,4S,4aS,8aS)- [ACD/Index Name]
119188-33-9 [RN]
Coronarin 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: 401.1±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 68.8±3.0 kJ/mol
Flash Point: 196.4±27.3 °C
Index of Refraction: 1.545
Molar Refractivity: 90.2±0.4 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 5.86
ACD/LogD (pH 5.5): 5.23
ACD/BCF (pH 5.5): 5562.71
ACD/KOC (pH 5.5): 16690.45
ACD/LogD (pH 7.4): 5.23
ACD/BCF (pH 7.4): 5562.71
ACD/KOC (pH 7.4): 16690.45
Polar Surface Area: 33 Å2
Polarizability: 35.7±0.5 10-24cm3
Surface Tension: 40.0±5.0 dyne/cm
Molar Volume: 285.2±5.0 cm3

Click to predict properties on the Chemicalize site


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