ChemSpider 2D Image | (7beta)-7-[(1S,4aS,6R,8aS)-6-(2-Hydroxy-2-propanyl)-8a-methyl-4-methylenedecahydro-1-naphthalenyl]abieta-8,11,13-trien-12-ol | C35H54O2

(7β)-7-[(1S,4aS,6R,8aS)-6-(2-Hydroxy-2-propanyl)-8a-methyl-4-methylenedecahydro-1-naphthalenyl]abieta-8,11,13-trien-12-ol

  • Molecular FormulaC35H54O2
  • Average mass506.802 Da
  • Monoisotopic mass506.412384 Da
  • ChemSpider ID10167167

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(7β)-7-[(1S,4aS,6R,8aS)-6-(2-Hydroxy-2-propanyl)-8a-methyl-4-methylendecahydro-1-naphthalinyl]abieta-8,11,13-trien-12-ol [German] [ACD/IUPAC Name]
(7β)-7-[(1S,4aS,6R,8aS)-6-(2-Hydroxy-2-propanyl)-8a-méthyl-4-méthylènedécahydro-1-naphtalényl]abiéta-8,11,13-trién-12-ol [French] [ACD/IUPAC Name]
(7β)-7-[(1S,4aS,6R,8aS)-6-(2-Hydroxy-2-propanyl)-8a-methyl-4-methylenedecahydro-1-naphthalenyl]abieta-8,11,13-trien-12-ol [ACD/IUPAC Name]
3-Phenanthrenol, 10-[(1S,4aS,6R,8aS)-decahydro-6-(1-hydroxy-1-methylethyl)-8a-methyl-4-methylene-1-naphthalenyl]-4b,5,6,7,8,8a,9,10-octahydro-4b,8,8-trimethyl-2-(1-methylethyl)-, (4bS,8aS,10R)- [ACD/Index Name]
(7β)-7-[(1S,4aS,6R,8aS)-6-(2-hydroxypropan-2-yl)-8a-methyl-4-methylidenedecahydronaphthalen-1-yl]abieta-8,11,13-trien-12-ol
ferrugieudesmol
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL508557/

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

Density: 1.1±0.1 g/cm3
Boiling Point: 594.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 93.2±3.0 kJ/mol
Flash Point: 234.2±24.7 °C
Index of Refraction: 1.560
Molar Refractivity: 155.4±0.4 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 2
ACD/LogP: 11.44
ACD/LogD (pH 5.5): 10.64
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 10.64
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 40 Å2
Polarizability: 61.6±0.5 10-24cm3
Surface Tension: 43.7±5.0 dyne/cm
Molar Volume: 480.2±5.0 cm3

Click to predict properties on the Chemicalize site


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