ChemSpider 2D Image | (3Z,3aS,5aR,7S,9aR,9bS)-3a,6,6,9a-Tetramethyl-3-{(3E,5E)-6-[(2R)-5-methyl-6-oxo-3,6-dihydro-2H-pyran-2-yl]-3,5-heptadien-2-ylidene}-2-oxododecahydro-1H-cyclopenta[a]naphthalen-7-yl acetate | C32H44O5

(3Z,3aS,5aR,7S,9aR,9bS)-3a,6,6,9a-Tetramethyl-3-{(3E,5E)-6-[(2R)-5-methyl-6-oxo-3,6-dihydro-2H-pyran-2-yl]-3,5-heptadien-2-ylidene}-2-oxododecahydro-1H-cyclopenta[a]naphthalen-7-yl acetate

  • Molecular FormulaC32H44O5
  • Average mass508.689 Da
  • Monoisotopic mass508.318878 Da
  • ChemSpider ID29213501

  • 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

(3Z,3aS,5aR,7S,9aR,9bS)-3a,6,6,9a-Tetramethyl-3-{(3E,5E)-6-[(2R)-5-methyl-6-oxo-3,6-dihydro-2H-pyran-2-yl]-3,5-heptadien-2-yliden}-2-oxododecahydro-1H-cyclopenta[a]naphthalin-7-yl-acetat [German] [ACD/IUPAC Name]
(3Z,3aS,5aR,7S,9aR,9bS)-3a,6,6,9a-Tetramethyl-3-{(3E,5E)-6-[(2R)-5-methyl-6-oxo-3,6-dihydro-2H-pyran-2-yl]-3,5-heptadien-2-ylidene}-2-oxododecahydro-1H-cyclopenta[a]naphthalen-7-yl acetate [ACD/IUPAC Name]
2H-Pyran-2-one, 6-[(1E,3E,5Z)-5-[(3aS,5aR,7S,9aR,9bS)-7-(acetyloxy)dodecahydro-3a,6,6,9a-tetramethyl-2-oxo-3H-benz[e]inden-3-ylidene]-1-methyl-1,3-hexadien-1-yl]-5,6-dihydro-3-methyl-, (6R)- [ACD/Index Name]
Acétate de (3Z,3aS,5aR,7S,9aR,9bS)-3a,6,6,9a-tétraméthyl-3-{(3E,5E)-6-[(2R)-5-méthyl-6-oxo-3,6-dihydro-2H-pyran-2-yl]-3,5-heptadién-2-ylidène}-2-oxododécahydro-1H-cyclopenta[a]naphtalén-7-yle [French] [ACD/IUPAC Name]
22,23-dihydrostellettin D

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

Density: 1.1±0.1 g/cm3
Boiling Point: 635.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 94.0±3.0 kJ/mol
Flash Point: 265.3±31.5 °C
Index of Refraction: 1.548
Molar Refractivity: 144.5±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 6.47
ACD/LogD (pH 5.5): 6.37
ACD/BCF (pH 5.5): 40567.45
ACD/KOC (pH 5.5): 69201.66
ACD/LogD (pH 7.4): 6.37
ACD/BCF (pH 7.4): 40567.45
ACD/KOC (pH 7.4): 69201.66
Polar Surface Area: 70 Å2
Polarizability: 57.3±0.5 10-24cm3
Surface Tension: 43.1±5.0 dyne/cm
Molar Volume: 455.2±5.0 cm3

Click to predict properties on the Chemicalize site


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