ChemSpider 2D Image | fijianolide D | C30H40O8

fijianolide D

  • Molecular FormulaC30H40O8
  • Average mass528.634 Da
  • Monoisotopic mass528.272339 Da
  • ChemSpider ID23287880

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 9 of 9 defined stereocentres

More details:

Featured data source
Natural Product Updates

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

(1R,3Z,7S,8S,10R,11S,12S,16S,18R)-11,12-Dihydroxy-16-methyl-14-methylen-8-{(E)-2-[(2S)-4-methyl-6-oxo-3,6-dihydro-2H-pyran-2-yl]vinyl}-6,9,22-trioxatricyclo[16.3.1.17,10]tricosa-3,20-dien-5-on [German] [ACD/IUPAC Name]
(1R,3Z,7S,8S,10R,11S,12S,16S,18R)-11,12-Dihydroxy-16-methyl-14-methylene-8-{(E)-2-[(2S)-4-methyl-6-oxo-3,6-dihydro-2H-pyran-2-yl]vinyl}-6,9,22-trioxatricyclo[16.3.1.17,10]tricosa-3,20-dien-5-one [ACD/IUPAC Name]
(1R,3Z,7S,8S,10R,11S,12S,16S,18R)-11,12-Dihydroxy-16-méthyl-14-méthylène-8-{(E)-2-[(2S)-4-méthyl-6-oxo-3,6-dihydro-2H-pyran-2-yl]vinyl}-6,9,22-trioxatricyclo[16.3.1.17,10]tricosa-3,20-dién-5-one [French] [ACD/IUPAC Name]
(1R,3Z,7S,8S,10R,11S,12S,16S,18R)-11,12-dihydroxy-16-methyl-14-methylidene-8-{(E)-2-[(2S)-4-methyl-6-oxo-3,6-dihydro-2H-pyran-2-yl]ethenyl}-6,9,22-trioxatricyclo[16.3.1.17,10]tricosa-3,20-dien-5-one (non-preferred name)
fijianolide D
(1R,3Z,7S,8S,10R,11S,12S,16S,18R)-11,12-Dihydroxy-16-methyl-14-methylene-8-{(E)-2-[(2S)-4-methyl-6-oxo-3,6-dihydro-2H-pyran-2-yl]vinyl}-6,9,22-trioxatricyclo[16.3.1.17,10]tricosa-3,20-dien-5-one
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL388441/

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

Density: 1.2±0.1 g/cm3
Boiling Point: 748.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.6 mmHg at 25°C
Enthalpy of Vaporization: 124.5±6.0 kJ/mol
Flash Point: 242.5±26.4 °C
Index of Refraction: 1.574
Molar Refractivity: 141.8±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 3.38
ACD/LogD (pH 5.5): 3.30
ACD/BCF (pH 5.5): 189.88
ACD/KOC (pH 5.5): 1487.78
ACD/LogD (pH 7.4): 3.30
ACD/BCF (pH 7.4): 189.88
ACD/KOC (pH 7.4): 1487.78
Polar Surface Area: 112 Å2
Polarizability: 56.2±0.5 10-24cm3
Surface Tension: 51.8±5.0 dyne/cm
Molar Volume: 430.0±5.0 cm3

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