ChemSpider 2D Image | (1R,3aS,5aR,6R,8aR,10aR)-6-[(2S,3R)-3-Hydroxy-6-methyl-5-methylene-2-heptanyl]-1,3a,5a,8a-tetramethyl-1,2,3,3a,4,5,5a,6,7,8,8a,9,10,10a-tetradecahydrodicyclopenta[a,f]naphthalene-1-carboxylic acid | C30H48O3

(1R,3aS,5aR,6R,8aR,10aR)-6-[(2S,3R)-3-Hydroxy-6-methyl-5-methylene-2-heptanyl]-1,3a,5a,8a-tetramethyl-1,2,3,3a,4,5,5a,6,7,8,8a,9,10,10a-tetradecahydrodicyclopenta[a,f]naphthalene-1-carboxylic acid

  • Molecular FormulaC30H48O3
  • Average mass456.700 Da
  • Monoisotopic mass456.360352 Da
  • ChemSpider ID78441144

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(1R,3aS,5aR,6R,8aR,10aR)-6-[(2S,3R)-3-Hydroxy-6-methyl-5-methylen-2-heptanyl]-1,3a,5a,8a-tetramethyl-1,2,3,3a,4,5,5a,6,7,8,8a,9,10,10a-tetradecahydrodicyclopenta[a,f]naphthalin-1-carbonsäure [German] [ACD/IUPAC Name]
(1R,3aS,5aR,6R,8aR,10aR)-6-[(2S,3R)-3-Hydroxy-6-methyl-5-methylene-2-heptanyl]-1,3a,5a,8a-tetramethyl-1,2,3,3a,4,5,5a,6,7,8,8a,9,10,10a-tetradecahydrodicyclopenta[a,f]naphthalene-1-carboxylic acid [ACD/IUPAC Name]
Acide (1R,3aS,5aR,6R,8aR,10aR)-6-[(2S,3R)-3-hydroxy-6-méthyl-5-méthylène-2-heptanyl]-1,3a,5a,8a-tétraméthyl-1,2,3,3a,4,5,5a,6,7,8,8a,9,10,10a-tétradécahydrodicyclopenta[a,f]naphtalène-1-carboxylique [French] [ACD/IUPAC Name]
Dicyclopenta[a,f]naphthalene-1-carboxylic acid, 1,2,3,3a,4,5,5a,6,7,8,8a,9,10,10a-tetradecahydro-6-[(1S,2R)-2-hydroxy-1,5-dimethyl-4-methylenehexyl]-1,3a,5a,8a-tetramethyl-, (1R,3aS,5aR,6R,8aR,10aR)- [ACD/Index Name]
Gilvsin D

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

Density: 1.1±0.1 g/cm3
Boiling Point: 559.7±43.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.5 mmHg at 25°C
Enthalpy of Vaporization: 96.8±6.0 kJ/mol
Flash Point: 306.3±24.7 °C
Index of Refraction: 1.542
Molar Refractivity: 134.9±0.4 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 8.84
ACD/LogD (pH 5.5): 7.69
ACD/BCF (pH 5.5): 271680.31
ACD/KOC (pH 5.5): 164344.42
ACD/LogD (pH 7.4): 5.90
ACD/BCF (pH 7.4): 4404.04
ACD/KOC (pH 7.4): 2664.09
Polar Surface Area: 58 Å2
Polarizability: 53.5±0.5 10-24cm3
Surface Tension: 42.4±5.0 dyne/cm
Molar Volume: 428.5±5.0 cm3

Click to predict properties on the Chemicalize site


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