ChemSpider 2D Image | stellettin O | C31H42O6

stellettin O

  • Molecular FormulaC31H42O6
  • Average mass510.662 Da
  • Monoisotopic mass510.298126 Da
  • ChemSpider ID44210875

  • 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

(3E,3aS,5aR,9aR,9bS)-3-[(3S,4E,6S)-3-Hydroxy-6-methoxy-6-(3-methyl-2-oxo-2H-pyran-6-yl)-4-hepten-2-yliden]-3a,6,6,9a-tetramethyldecahydro-1H-cyclopenta[a]naphthalin-2,7-dion [German] [ACD/IUPAC Name]
(3E,3aS,5aR,9aR,9bS)-3-[(3S,4E,6S)-3-Hydroxy-6-méthoxy-6-(3-méthyl-2-oxo-2H-pyran-6-yl)-4-heptén-2-ylidène]-3a,6,6,9a-tétraméthyldécahydro-1H-cyclopenta[a]naphtalène-2,7-dione [French] [ACD/IUPAC Name]
(3E,3aS,5aR,9aR,9bS)-3-[(3S,4E,6S)-3-Hydroxy-6-methoxy-6-(3-methyl-2-oxo-2H-pyran-6-yl)-4-hepten-2-ylidene]-3a,6,6,9a-tetramethyldecahydro-1H-cyclopenta[a]naphthalene-2,7-dione [ACD/IUPAC Name]
1H-Benz[e]indene-2,7-dione, decahydro-3-[(2S,3E,5S)-2-hydroxy-5-methoxy-1-methyl-5-(3-methyl-2-oxo-2H-pyran-6-yl)-3-hexen-1-ylidene]-3a,6,6,9a-tetramethyl-, (3E,3aS,5aR,9aR,9bS)- [ACD/Index Name]
stellettin O

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

Density: 1.1±0.1 g/cm3
Boiling Point: 662.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.6 mmHg at 25°C
Enthalpy of Vaporization: 111.5±6.0 kJ/mol
Flash Point: 210.2±25.0 °C
Index of Refraction: 1.548
Molar Refractivity: 141.1±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 4.02
ACD/LogD (pH 5.5): 4.43
ACD/BCF (pH 5.5): 1379.14
ACD/KOC (pH 5.5): 6150.78
ACD/LogD (pH 7.4): 4.43
ACD/BCF (pH 7.4): 1379.14
ACD/KOC (pH 7.4): 6150.76
Polar Surface Area: 90 Å2
Polarizability: 55.9±0.5 10-24cm3
Surface Tension: 43.7±3.0 dyne/cm
Molar Volume: 444.1±3.0 cm3

Click to predict properties on the Chemicalize site


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