ChemSpider 2D Image | sarcostolide E | C20H26O4

sarcostolide E

  • Molecular FormulaC20H26O4
  • Average mass330.418 Da
  • Monoisotopic mass330.183105 Da
  • ChemSpider ID23329550

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 3 defined stereocentres

More details:

Featured data source
Natural Product Updates

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

(5Z,7E,9S,12R,13S)-12-Isopropyl-5,9-dimethyl-14-oxabicyclo[11.2.1]hexadeca-1(16),5,7-trien-3,10,15-trion [German] [ACD/IUPAC Name]
(5Z,7E,9S,12R,13S)-12-Isopropyl-5,9-dimethyl-14-oxabicyclo[11.2.1]hexadeca-1(16),5,7-triene-3,10,15-trione [ACD/IUPAC Name]
(5Z,7E,9S,12R,13S)-12-Isopropyl-5,9-diméthyl-14-oxabicyclo[11.2.1]hexadéca-1(16),5,7-triène-3,10,15-trione [French] [ACD/IUPAC Name]
14-Oxabicyclo[11.2.1]hexadeca-1(16),5,7-triene-3,10,15-trione, 5,9-dimethyl-12-(1-methylethyl)-, (5Z,7E,9S,12R,13S)- [ACD/Index Name]
sarcostolide E
(5Z,7E,9S,12R,13S)-5,9-dimethyl-12-(propan-2-yl)-14-oxabicyclo[11.2.1]hexadeca-1(16),5,7-triene-3,10,15-trione
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL488480/

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

Density: 1.1±0.1 g/cm3
Boiling Point: 531.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.7±3.0 kJ/mol
Flash Point: 233.3±30.2 °C
Index of Refraction: 1.526
Molar Refractivity: 91.8±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 2.49
ACD/LogD (pH 5.5): 2.66
ACD/BCF (pH 5.5): 62.13
ACD/KOC (pH 5.5): 668.76
ACD/LogD (pH 7.4): 2.66
ACD/BCF (pH 7.4): 62.13
ACD/KOC (pH 7.4): 668.76
Polar Surface Area: 60 Å2
Polarizability: 36.4±0.5 10-24cm3
Surface Tension: 40.7±5.0 dyne/cm
Molar Volume: 299.0±5.0 cm3

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