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Search term: GDSJHIMPNZMFSO (Found by InChIKey (skeleton match))

ChemSpider 2D Image | (2S)-2-[(1S,3R,4S,4aS)-3-Acetoxy-4-methyl-7-methylene-1,2,3,4,4a,5,6,7-octahydro-1-naphthalenyl]-6-methyl-4-oxo-5-hepten-3-yl acetate | C24H34O5

(2S)-2-[(1S,3R,4S,4aS)-3-Acetoxy-4-methyl-7-methylene-1,2,3,4,4a,5,6,7-octahydro-1-naphthalenyl]-6-methyl-4-oxo-5-hepten-3-yl acetate

  • Molecular FormulaC24H34O5
  • Average mass402.524 Da
  • Monoisotopic mass402.240631 Da
  • ChemSpider ID24692332
  • defined stereocentres - 5 of 6 defined stereocentres


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(2S)-2-[(1S,3R,4S,4aS)-3-Acetoxy-4-methyl-7-methylen-1,2,3,4,4a,5,6,7-octahydro-1-naphthalinyl]-6-methyl-4-oxo-5-hepten-3-yl-acetat [German] [ACD/IUPAC Name]
(2S)-2-[(1S,3R,4S,4aS)-3-Acetoxy-4-methyl-7-methylene-1,2,3,4,4a,5,6,7-octahydro-1-naphthalenyl]-6-methyl-4-oxo-5-hepten-3-yl acetate [ACD/IUPAC Name]
2-Hepten-4-one, 5-(acetyloxy)-6-[(1S,3R,4S,4aS)-3-(acetyloxy)-1,2,3,4,4a,5,6,7-octahydro-4-methyl-7-methylene-1-naphthalenyl]-2-methyl-, (6S)- [ACD/Index Name]
Acétate de (2S)-2-[(1S,3R,4S,4aS)-3-acétoxy-4-méthyl-7-méthylène-1,2,3,4,4a,5,6,7-octahydro-1-naphtalényl]-6-méthyl-4-oxo-5-heptén-3-yle [French] [ACD/IUPAC Name]
SINULODURIN A

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 500.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 76.9±3.0 kJ/mol
Flash Point: 213.3±30.2 °C
Index of Refraction: 1.511
Molar Refractivity: 111.7±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 5.16
ACD/LogD (pH 5.5): 5.29
ACD/BCF (pH 5.5): 6212.51
ACD/KOC (pH 5.5): 18063.94
ACD/LogD (pH 7.4): 5.29
ACD/BCF (pH 7.4): 6212.51
ACD/KOC (pH 7.4): 18063.94
Polar Surface Area: 70 Å2
Polarizability: 44.3±0.5 10-24cm3
Surface Tension: 38.7±5.0 dyne/cm
Molar Volume: 372.7±5.0 cm3

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