ChemSpider 2D Image | (3aS,5aR,6R,8aS)-8a-Hydroxy-6-[(2R,5R)-6-hydroxy-5-(hydroxymethyl)-6-methyl-3-hepten-2-yl]-5a-methyl-3a,4,5,5a,6,7,8,8a-octahydro-2H-indeno[5,4-b]furan-2-one | C21H32O5

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

  • Molecular FormulaC21H32O5
  • Average mass364.476 Da
  • Monoisotopic mass364.224976 Da
  • ChemSpider ID78437634

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(3aS,5aR,6R,8aS)-8a-Hydroxy-6-[(2R,5R)-6-hydroxy-5-(hydroxymethyl)-6-methyl-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,8aS)-8a-Hydroxy-6-[(2R,5R)-6-hydroxy-5-(hydroxymethyl)-6-methyl-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,8aS)-8a-Hydroxy-6-[(2R,5R)-6-hydroxy-5-(hydroxyméthyl)-6-méthyl-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-8a-hydroxy-6-[(1R,4R)-5-hydroxy-4-(hydroxymethyl)-1,5-dimethyl-2-hexen-1-yl]-5a-methyl-, (3aS,5aR,6R,8aS)- [ACD/Index Name]
Phellinignincisterol A

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

Density: 1.2±0.1 g/cm3
Boiling Point: 575.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.6 mmHg at 25°C
Enthalpy of Vaporization: 99.0±6.0 kJ/mol
Flash Point: 199.9±23.6 °C
Index of Refraction: 1.569
Molar Refractivity: 99.1±0.4 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.38
ACD/LogD (pH 5.5): 2.05
ACD/BCF (pH 5.5): 21.37
ACD/KOC (pH 5.5): 311.55
ACD/LogD (pH 7.4): 2.05
ACD/BCF (pH 7.4): 21.37
ACD/KOC (pH 7.4): 311.55
Polar Surface Area: 87 Å2
Polarizability: 39.3±0.5 10-24cm3
Surface Tension: 51.7±5.0 dyne/cm
Molar Volume: 302.7±5.0 cm3

Click to predict properties on the Chemicalize site


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