ChemSpider 2D Image | (3aR,5aS,8aR,11R,11aR,13R,15aR)-5,5,8a,11a-Tetramethyl-11-{(1S)-1-[(2R)-5-methyl-6-oxo-3,6-dihydro-2H-pyran-2-yl]ethyl}-2,14-dioxohexadecahydro-2H-cyclopenta[6,7]cycloundeca[1,2-c]furo[3,2-b]furan-13- yl acetate | C32H46O8

(3aR,5aS,8aR,11R,11aR,13R,15aR)-5,5,8a,11a-Tetramethyl-11-{(1S)-1-[(2R)-5-methyl-6-oxo-3,6-dihydro-2H-pyran-2-yl]ethyl}-2,14-dioxohexadecahydro-2H-cyclopenta[6,7]cycloundeca[1,2-c]furo[3,2-b]furan-13- yl acetate

  • Molecular FormulaC32H46O8
  • Average mass558.703 Da
  • Monoisotopic mass558.319275 Da
  • ChemSpider ID23341166

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(3aR,5aS,8aR,11R,11aR,13R,15aR)-5,5,8a,11a-Tetramethyl-11-{(1S)-1-[(2R)-5-methyl-6-oxo-3,6-dihydro-2H-pyran-2-yl]ethyl}-2,14-dioxohexadecahydro-2H-cyclopenta[6,7]cycloundeca[1,2-c]furo[3,2-b]furan-13- yl acetate [ACD/IUPAC Name]
(3aR,5aS,8aR,11R,11aR,13R,15aR)-5,5,8a,11a-Tetramethyl-11-{(1S)-1-[(2R)-5-methyl-6-oxo-3,6-dihydro-2H-pyran-2-yl]ethyl}-2,14-dioxohexadecahydro-2H-cyclopenta[6,7]cycloundeca[1,2-c]furo[3,2-b]furan-13- yl-acetat [German] [ACD/IUPAC Name]
2H-Cyclopenta[6,7]cycloundeca[1,2-c]furo[3,2-b]furan-2,14(15H)-dione, 13-(acetyloxy)-11-[(1S)-1-[(2R)-3,6-dihydro-5-methyl-6-oxo-2H-pyran-2-yl]ethyl]tetradecahydro-5,5,8a,11a-tetramethyl-, (3aR,5aS,8a R,11R,11aR,13R,15aR)- [ACD/Index Name]
Acétate de (3aR,5aS,8aR,11R,11aR,13R,15aR)-5,5,8a,11a-tétraméthyl-11-{(1S)-1-[(2R)-5-méthyl-6-oxo-3,6-dihydro-2H-pyran-2-yl]éthyl}-2,14-dioxohexadécahydro-2H-cyclopenta[6,7]cycloundéca[1,2-c]furo[3,2- b]furan-13-yle [French] [ACD/IUPAC Name]
(3aR,5aS,8aR,11R,11aR,13R,15aR)-5,5,8a,11a-tetramethyl-11-{(1S)-1-[(2R)-5-methyl-6-oxo-3,6-dihydro-2H-pyran-2-yl]ethyl}-2,14-dioxohexadecahydro-2H-cyclopenta[6,7]cycloundeca[1,2-c]furo[3,2-b]furan-13-yl acetate
2H-cyclopenta[6,7]cycloundeca[1,2-c]furo[3,2-b]furan-2,14(15H)-dione, 13-(acetyloxy)-11-[(1S)-1-[(2R)-3,6-dihydro-5-methyl-6-oxo-2H-pyran-2-yl]ethyl]tetradecahydro-5,5,8a,11a-tetramethyl-, (3aR,5aS,8aR,11R,11aR,13R,15aR)-
kadsuphilactone A

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

Density: 1.2±0.1 g/cm3
Boiling Point: 695.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 101.9±3.0 kJ/mol
Flash Point: 288.9±31.5 °C
Index of Refraction: 1.542
Molar Refractivity: 147.0±0.4 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 5.02
ACD/LogD (pH 5.5): 5.06
ACD/BCF (pH 5.5): 4100.49
ACD/KOC (pH 5.5): 13417.18
ACD/LogD (pH 7.4): 5.06
ACD/BCF (pH 7.4): 4100.49
ACD/KOC (pH 7.4): 13417.18
Polar Surface Area: 105 Å2
Polarizability: 58.3±0.5 10-24cm3
Surface Tension: 47.1±5.0 dyne/cm
Molar Volume: 467.1±5.0 cm3

Click to predict properties on the Chemicalize site


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