ChemSpider 2D Image | (2S)-2-[(2S,2'R,2''R,2'''R,5R,5'S,5''S,5'''S)-5'''-(2-Hydroxy-2-propanyl)-2,2'',2'''-trimethylhexadecahydro-2,2':5',2'':5'',2'''-quaterfuran-5-yl]-6-methyl-5-hepten-2-ol | C30H52O6

(2S)-2-[(2S,2'R,2''R,2'''R,5R,5'S,5''S,5'''S)-5'''-(2-Hydroxy-2-propanyl)-2,2'',2'''-trimethylhexadecahydro-2,2':5',2'':5'',2'''-quaterfuran-5-yl]-6-methyl-5-hepten-2-ol

  • Molecular FormulaC30H52O6
  • Average mass508.730 Da
  • Monoisotopic mass508.376404 Da
  • ChemSpider ID21429465

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

Featured data source
Natural Product Updates

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

(2S)-2-[(2S,2'R,2''R,2'''R,5R,5'S,5''S,5'''S)-5'''-(2-Hydroxy-2-propanyl)-2,2'',2'''-trimethylhexadecahydro-2,2':5',2'':5'',2'''-quaterfuran-5-yl]-6-methyl-5-hepten-2-ol [ACD/IUPAC Name]
(2S)-2-[(2S,2'R,2''R,2'''R,5R,5'S,5''S,5'''S)-5'''-(2-Hydroxy-2-propanyl)-2,2'',2'''-trimethylhexadecahydro-2,2':5',2'':5'',2'''-quaterfuran-5-yl]-6-methyl-5-hepten-2-ol [German] [ACD/IUPAC Name]
(2S)-2-[(2S,2'R,2''R,2'''R,5R,5'S,5''S,5'''S)-5'''-(2-Hydroxy-2-propanyl)-2,2'',2'''-triméthylhexadécahydro-2,2':5',2'':5'',2'''-quaterfuran-5-yl]-6-méthyl-5-heptén-2-ol [French] [ACD/IUPAC Name]
(2S)-2-[(2S,2'R,2''R,2'''R,5R,5'S,5''S,5'''S)-5'''-(2-hydroxypropan-2-yl)-2,2'',2'''-trimethylhexadecahydro-2,2':5',2'':5'',2'''-quaterfuran-5-yl]-6-methylhept-5-en-2-ol
[2,2':5',2'':5'',2'''-Quaterfuran]-5,5'''-dimethanol, hexadecahydro-α5,α5''',α5''',2,2'',2'''-hexamethyl-α5-(4-methyl-3-penten-1-yl)-, (α5S,2S,2'R,2''R,2'''R,5R,5'S,5''S,
 5'''S)- [ACD/Index Name]
[2,2':5',2'':5'',2'''-quaterfuran]-5,5'''-dimethanol, hexadecahydro-α5,α5''',α5''',2,2'',2'''-hexamethyl-α5-(4-methyl-3-penten-1-yl)-, (α5S,2S,2'R,2''R,2'''R,5R,5'S,5''S,5'''S)-
Omaezakianol
(+)-omaezakianol

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

Density: 1.1±0.1 g/cm3
Boiling Point: 598.3±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.8 mmHg at 25°C
Enthalpy of Vaporization: 102.2±6.0 kJ/mol
Flash Point: 315.6±25.9 °C
Index of Refraction: 1.519
Molar Refractivity: 141.4±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 4.71
ACD/LogD (pH 5.5): 4.85
ACD/BCF (pH 5.5): 2857.71
ACD/KOC (pH 5.5): 10361.28
ACD/LogD (pH 7.4): 4.85
ACD/BCF (pH 7.4): 2857.71
ACD/KOC (pH 7.4): 10361.28
Polar Surface Area: 77 Å2
Polarizability: 56.1±0.5 10-24cm3
Surface Tension: 41.8±3.0 dyne/cm
Molar Volume: 465.7±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement