ChemSpider 2D Image | Methyl (3E,5Z,7E)-8-[(1R,3S,5Z,7R,11R,12R,13E,15S,17S)-5-(2-methoxy-2-oxoethylidene)-12,15-dimethyl-9-oxo-10,21,22-trioxatricyclo[15.3.1.1~3,7~]docos-13-en-11-yl]-3-methyl-3,5,7-octatrienoate | C34H48O8

Methyl (3E,5Z,7E)-8-[(1R,3S,5Z,7R,11R,12R,13E,15S,17S)-5-(2-methoxy-2-oxoethylidene)-12,15-dimethyl-9-oxo-10,21,22-trioxatricyclo[15.3.1.13,7]docos-13-en-11-yl]-3-methyl-3,5,7-octatrienoate

  • Molecular FormulaC34H48O8
  • Average mass584.740 Da
  • Monoisotopic mass584.334900 Da
  • ChemSpider ID28283331

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 7 of 7 defined stereocentres

More details:

Featured data source
Natural Product Updates

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

(3E,5Z,7E)-8-[(1R,3S,5Z,7R,11R,12R,13E,15S,17S)-5-(2-Méthoxy-2-oxoéthylidène)-12,15-diméthyl-9-oxo-10,21,22-trioxatricyclo[15.3.1.13,7]docos-13-én-11-yl]-3-méthyl-3,5,7-octatriénoate de méthyle [French] [ACD/IUPAC Name]
3,5,7-Octatrienoic acid, 8-[(1R,3S,5Z,7R,11R,12R,13E,15S,17S)-5-(2-methoxy-2-oxoethylidene)-12,15-dimethyl-9-oxo-10,21,22-trioxatricyclo[15.3.1.13,7]docos-13-en-11-yl]-3-methyl-, methyl ester, (3E,5 
Z,7E)- [ACD/Index Name]
Methyl (3E,5Z,7E)-8-[(1R,3S,5Z,7R,11R,12R,13E,15S,17S)-5-(2-methoxy-2-oxoethylidene)-12,15-dimethyl-9-oxo-10,21,22-trioxatricyclo[15.3.1.13,7]docos-13-en-11-yl]-3-methyl-3,5,7-octatrienoate [ACD/IUPAC Name]
Methyl-(3E,5Z,7E)-8-[(1R,3S,5Z,7R,11R,12R,13E,15S,17S)-5-(2-methoxy-2-oxoethyliden)-12,15-dimethyl-9-oxo-10,21,22-trioxatricyclo[15.3.1.13,7]docos-13-en-11-yl]-3-methyl-3,5,7-octatrienoat [German] [ACD/IUPAC Name]
(+)-exiguolide
Exiguolide

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

Density: 1.1±0.1 g/cm3
Boiling Point: 710.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 103.9±3.0 kJ/mol
Flash Point: 291.6±32.9 °C
Index of Refraction: 1.529
Molar Refractivity: 164.9±0.3 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 6.31
ACD/LogD (pH 5.5): 6.19
ACD/BCF (pH 5.5): 29868.57
ACD/KOC (pH 5.5): 55583.15
ACD/LogD (pH 7.4): 6.19
ACD/BCF (pH 7.4): 29868.57
ACD/KOC (pH 7.4): 55583.15
Polar Surface Area: 97 Å2
Polarizability: 65.4±0.5 10-24cm3
Surface Tension: 39.2±3.0 dyne/cm
Molar Volume: 534.4±3.0 cm3

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