Found 5 results

Search term: QNAATLGQMSSVEO (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (2S,3S,4aR,5R,8aS)-5-[(5S)-5-Hydroxyoctyl]-2-methyldecahydro-3-quinolinyl (2E)-2-octenoate | C26H47NO3

(2S,3S,4aR,5R,8aS)-5-[(5S)-5-Hydroxyoctyl]-2-methyldecahydro-3-quinolinyl (2E)-2-octenoate

  • Molecular FormulaC26H47NO3
  • Average mass421.656 Da
  • Monoisotopic mass421.355591 Da
  • ChemSpider ID28285094

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 6 of 6 defined stereocentres

More details:

Featured data source
Natural Product Updates

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

(2E)-2-Octénoate de (2S,3S,4aR,5R,8aS)-5-[(5S)-5-hydroxyoctyl]-2-méthyldécahydro-3-quinoléinyle [French] [ACD/IUPAC Name]
(2S,3S,4aR,5R,8aS)-5-[(5S)-5-Hydroxyoctyl]-2-methyldecahydro-3-chinolinyl-(2E)-2-octenoat [German] [ACD/IUPAC Name]
(2S,3S,4aR,5R,8aS)-5-[(5S)-5-Hydroxyoctyl]-2-methyldecahydro-3-quinolinyl (2E)-2-octenoate [ACD/IUPAC Name]
2-Octenoic acid, (2S,3S,4aR,5R,8aS)-decahydro-5-[(5S)-5-hydroxyoctyl]-2-methyl-3-quinolinyl ester, (2E)- [ACD/Index Name]
(+)-lepadin F
ent-lepadin F

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

Density: 1.0±0.1 g/cm3
Boiling Point: 520.6±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 91.3±6.0 kJ/mol
Flash Point: 268.6±23.2 °C
Index of Refraction: 1.505
Molar Refractivity: 125.2±0.4 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 1
ACD/LogP: 7.58
ACD/LogD (pH 5.5): 4.17
ACD/BCF (pH 5.5): 168.13
ACD/KOC (pH 5.5): 196.03
ACD/LogD (pH 7.4): 5.50
ACD/BCF (pH 7.4): 3632.74
ACD/KOC (pH 7.4): 4235.58
Polar Surface Area: 59 Å2
Polarizability: 49.6±0.5 10-24cm3
Surface Tension: 39.7±5.0 dyne/cm
Molar Volume: 421.9±5.0 cm3

Click to predict properties on the Chemicalize site


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