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Search term: NJRDJVYVVKTPQA (Found by InChIKey (skeleton match))
ChemSpider 2D Image | GYROSANOL A | C20H32O

GYROSANOL A

  • Molecular FormulaC20H32O
  • Average mass288.467 Da
  • Monoisotopic mass288.245331 Da
  • ChemSpider ID25031292

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

Featured data source
Natural Product Updates

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

(1S,4aR,6S,8aS)-4,8a-Diméthyl-6-(6-méthyl-1,5-heptadién-2-yl)-1,2,4a,5,6,7,8,8a-octahydro-1-naphtalénol [French] [ACD/IUPAC Name]
(1S,4aR,6S,8aS)-4,8a-Dimethyl-6-(6-methyl-1,5-heptadien-2-yl)-1,2,4a,5,6,7,8,8a-octahydro-1-naphthalenol [ACD/IUPAC Name]
(1S,4aR,6S,8aS)-4,8a-Dimethyl-6-(6-methyl-1,5-heptadien-2-yl)-1,2,4a,5,6,7,8,8a-octahydro-1-naphthalinol [German] [ACD/IUPAC Name]
1-Naphthalenol, 1,2,4a,5,6,7,8,8a-octahydro-4,8a-dimethyl-6-(5-methyl-1-methylene-4-hexen-1-yl)-, (1S,4aR,6S,8aS)- [ACD/Index Name]
GYROSANOL A

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

Density: 1.0±0.1 g/cm3
Boiling Point: 385.2±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 73.3±6.0 kJ/mol
Flash Point: 165.4±20.1 °C
Index of Refraction: 1.513
Molar Refractivity: 91.1±0.3 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 6.58
ACD/LogD (pH 5.5): 6.18
ACD/BCF (pH 5.5): 29374.94
ACD/KOC (pH 5.5): 54924.02
ACD/LogD (pH 7.4): 6.18
ACD/BCF (pH 7.4): 29374.94
ACD/KOC (pH 7.4): 54924.02
Polar Surface Area: 20 Å2
Polarizability: 36.1±0.5 10-24cm3
Surface Tension: 34.2±3.0 dyne/cm
Molar Volume: 302.9±3.0 cm3

Click to predict properties on the Chemicalize site


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