ChemSpider 2D Image | stellettin N | C31H42O6

stellettin N

  • Molecular FormulaC31H42O6
  • Average mass510.662 Da
  • Monoisotopic mass510.298126 Da
  • ChemSpider ID44210874

  • 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

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

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

Density: 1.2±0.1 g/cm3
Boiling Point: 648.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.4 mmHg at 25°C
Enthalpy of Vaporization: 109.4±6.0 kJ/mol
Flash Point: 204.8±25.0 °C
Index of Refraction: 1.550
Molar Refractivity: 141.3±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 3.46
ACD/LogD (pH 5.5): 3.86
ACD/BCF (pH 5.5): 506.00
ACD/KOC (pH 5.5): 3000.79
ACD/LogD (pH 7.4): 3.86
ACD/BCF (pH 7.4): 506.00
ACD/KOC (pH 7.4): 3000.76
Polar Surface Area: 90 Å2
Polarizability: 56.0±0.5 10-24cm3
Surface Tension: 44.1±3.0 dyne/cm
Molar Volume: 443.8±3.0 cm3

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