ChemSpider 2D Image | 6-[(1E,3E,5E)-6-[(1R,2R,3R,5R,7R,8R)-7-ETHYL-2,8-DIHYDROXY-1,8-DIMETHY L-4,6-DIOXABICYCLO[3.3.0]OCT-3-YL]HEXA-1,3,5-TRIENYL]-4-METHOXY-5-METH YL-PYRAN-2-ONE | C23H30O7

6-[(1E,3E,5E)-6-[(1R,2R,3R,5R,7R,8R)-7-ETHYL-2,8-DIHYDROXY-1,8-DIMETHY L-4,6-DIOXABICYCLO[3.3.0]OCT-3-YL]HEXA-1,3,5-TRIENYL]-4-METHOXY-5-METH YL-PYRAN-2-ONE

  • Molecular FormulaC23H30O7
  • Average mass418.480 Da
  • Monoisotopic mass418.199158 Da
  • ChemSpider ID52563701

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 6 of 6 defined stereocentres

More details:

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

2H-Pyran-2-one, 6-[(1E,3E,5E)-6-[(2R,3R,3aR,4R,5R,6aR)-5-ethylhexahydro-3,4-dihydroxy-3a,4-dimethylfuro[2,3-b]furan-2-yl]-1,3,5-hexatrien-1-yl]-4-methoxy-5-methyl- [ACD/Index Name]
6-[(1E,3E,5E)-6-[(1R,2R,3R,5R,7R,8R)-7-ETHYL-2,8-DIHYDROXY-1,8-DIMETHY L-4,6-DIOXABICYCLO[3.3.0]OCT-3-YL]HEXA-1,3,5-TRIENYL]-4-METHOXY-5-METH YL-PYRAN-2-ONE
6-{(1E,3E,5E)-6-[(2R,3R,3aR,4R,5R,6aR)-5-Ethyl-3,4-dihydroxy-3a,4-dimethylhexahydrofuro[2,3-b]furan-2-yl]-1,3,5-hexatrien-1-yl}-4-methoxy-5-methyl-2H-pyran-2-on [German] [ACD/IUPAC Name]
6-{(1E,3E,5E)-6-[(2R,3R,3aR,4R,5R,6aR)-5-Ethyl-3,4-dihydroxy-3a,4-dimethylhexahydrofuro[2,3-b]furan-2-yl]-1,3,5-hexatrien-1-yl}-4-methoxy-5-methyl-2H-pyran-2-one [ACD/IUPAC Name]
6-{(1E,3E,5E)-6-[(2R,3R,3aR,4R,5R,6aR)-5-Éthyl-3,4-dihydroxy-3a,4-diméthylhexahydrofuro[2,3-b]furan-2-yl]-1,3,5-hexatrién-1-yl}-4-méthoxy-5-méthyl-2H-pyran-2-one [French] [ACD/IUPAC Name]
79663-49-3 [RN]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 612.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.0 mmHg at 25°C
Enthalpy of Vaporization: 104.2±6.0 kJ/mol
Flash Point: 208.5±25.0 °C
Index of Refraction: 1.579
Molar Refractivity: 111.4±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.48
ACD/LogD (pH 5.5): 2.54
ACD/BCF (pH 5.5): 49.72
ACD/KOC (pH 5.5): 570.14
ACD/LogD (pH 7.4): 2.54
ACD/BCF (pH 7.4): 49.72
ACD/KOC (pH 7.4): 570.14
Polar Surface Area: 94 Å2
Polarizability: 44.1±0.5 10-24cm3
Surface Tension: 50.9±5.0 dyne/cm
Molar Volume: 335.0±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement