ChemSpider 2D Image | (+)-enshuol | C30H51BrO6

(+)-enshuol

  • Molecular FormulaC30H51BrO6
  • Average mass587.626 Da
  • Monoisotopic mass586.286865 Da
  • ChemSpider ID23076448

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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(+)-enshuol
[2,2':5',2''-Terfuran]-5-methanol, 5''-[(2R,4aS,7R,9aR)-7-bromooctahydro-2,6,6,9a-tetramethyl-2H-pyrano[3,2-b]oxepin-2-yl]dodecahydro-α,α,2,5'-tetramethyl-, (2R,2'S,2''S,5S,5'R,5''S)- [ACD/Index Name]
2-{(2R,2'S,2''S,5S,5'R,5''S)-5''-[(2R,4aS,7R,9aR)-7-Brom-2,6,6,9a-tetramethyloctahydro-2H-pyrano[3,2-b]oxepin-2-yl]-2,5'-dimethyldodecahydro-2,2':5',2''-terfuran-5-yl}-2-propanol [German] [ACD/IUPAC Name]
2-{(2R,2'S,2''S,5S,5'R,5''S)-5''-[(2R,4aS,7R,9aR)-7-Bromo-2,6,6,9a-tetramethyloctahydro-2H-pyrano[3,2-b]oxepin-2-yl]-2,5'-dimethyldodecahydro-2,2':5',2''-terfuran-5-yl}-2-propanol [ACD/IUPAC Name]
2-{(2R,2'S,2''S,5S,5'R,5''S)-5''-[(2R,4aS,7R,9aR)-7-Bromo-2,6,6,9a-tétraméthyloctahydro-2H-pyrano[3,2-b]oxépin-2-yl]-2,5'-diméthyldodécahydro-2,2':5',2''-terfuran-5-yl}-2-propanol [French] [ACD/IUPAC Name]
enshuol

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

Density: 1.2±0.1 g/cm3
Boiling Point: 602.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.9 mmHg at 25°C
Enthalpy of Vaporization: 102.8±6.0 kJ/mol
Flash Point: 318.1±31.5 °C
Index of Refraction: 1.517
Molar Refractivity: 147.7±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 5.20
ACD/LogD (pH 5.5): 5.23
ACD/BCF (pH 5.5): 5534.01
ACD/KOC (pH 5.5): 16628.77
ACD/LogD (pH 7.4): 5.23
ACD/BCF (pH 7.4): 5534.01
ACD/KOC (pH 7.4): 16628.77
Polar Surface Area: 66 Å2
Polarizability: 58.6±0.5 10-24cm3
Surface Tension: 39.1±3.0 dyne/cm
Molar Volume: 488.5±3.0 cm3

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