ChemSpider 2D Image | (3aR,6aS,7R,8R,10R,10bS)-3a,7,8,10a-Tetrahydroxy-5-(hydroxymethyl)-8-isopropenyl-2,10-dimethyl-4,6a,7,8,9,10,10a,10b-octahydrobenzo[e]azulen-3(3aH)-one | C20H28O6

(3aR,6aS,7R,8R,10R,10bS)-3a,7,8,10a-Tetrahydroxy-5-(hydroxymethyl)-8-isopropenyl-2,10-dimethyl-4,6a,7,8,9,10,10a,10b-octahydrobenzo[e]azulen-3(3aH)-one

  • Molecular FormulaC20H28O6
  • Average mass364.433 Da
  • Monoisotopic mass364.188599 Da
  • ChemSpider ID58817714

  • defined stereocentres - 6 of 7 defined stereocentres

More details:

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

(3aR,6aS,7R,8R,10R,10bS)-3a,7,8,10a-Tetrahydroxy-5-(hydroxymethyl)-8-isopropenyl-2,10-dimethyl-4,6a,7,8,9,10,10a,10b-octahydrobenzo[e]azulen-3(3aH)-on [German] [ACD/IUPAC Name]
(3aR,6aS,7R,8R,10R,10bS)-3a,7,8,10a-Tetrahydroxy-5-(hydroxymethyl)-8-isopropenyl-2,10-dimethyl-4,6a,7,8,9,10,10a,10b-octahydrobenzo[e]azulen-3(3aH)-one [ACD/IUPAC Name]
(3aR,6aS,7R,8R,10R,10bS)-3a,7,8,10a-Tétrahydroxy-5-(hydroxyméthyl)-8-isopropényl-2,10-diméthyl-4,6a,7,8,9,10,10a,10b-octahydrobenzo[e]azulén-3(3aH)-one [French] [ACD/IUPAC Name]
Benz[e]azulen-3(3aH)-one, 4,6a,7,8,9,10,10a,10b-octahydro-3a,7,8,10a-tetrahydroxy-5-(hydroxymethyl)-2,10-dimethyl-8-(1-methylethenyl)-, (3aR,6aS,7R,8R,10R,10bS)- [ACD/Index Name]
(3AR,6AS,7R,8R,10R,10AR,10BS)-3A,7,8,10A-TETRAHYDROXY-5-(HYDROXYMETHYL)-2,10-DIMETHYL-8-(PROP-1-EN-2-YL)-3H,3AH,4H,6AH,7H,8H,9H,10H,10AH,10BH-CYCLOHEXA[E]AZULEN-3-ONE
57444-60-7 [RN]
Resiniferonol

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

Density: 1.4±0.1 g/cm3
Boiling Point: 559.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.4 mmHg at 25°C
Enthalpy of Vaporization: 96.7±6.0 kJ/mol
Flash Point: 306.2±26.6 °C
Index of Refraction: 1.624
Molar Refractivity: 95.1±0.3 cm3
#H bond acceptors: 6
#H bond donors: 5
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 0.88
ACD/LogD (pH 5.5): 1.00
ACD/BCF (pH 5.5): 3.39
ACD/KOC (pH 5.5): 83.47
ACD/LogD (pH 7.4): 1.00
ACD/BCF (pH 7.4): 3.39
ACD/KOC (pH 7.4): 83.46
Polar Surface Area: 118 Å2
Polarizability: 37.7±0.5 10-24cm3
Surface Tension: 65.6±3.0 dyne/cm
Molar Volume: 269.5±3.0 cm3

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