ChemSpider 2D Image | palmonine B | C26H40O7

palmonine B

  • Molecular FormulaC26H40O7
  • Average mass464.592 Da
  • Monoisotopic mass464.277405 Da
  • ChemSpider ID23327341

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(1R,2S,3R,6R,7R,8R,9R,12S)-6-Isopropyl-3,9-dimethyl-13-methylen-15-oxatricyclo[6.6.1.02,7]pentadecan-3,9,12-triyl-triacetat [German] [ACD/IUPAC Name]
(1R,2S,3R,6R,7R,8R,9R,12S)-6-Isopropyl-3,9-dimethyl-13-methylene-15-oxatricyclo[6.6.1.02,7]pentadecane-3,9,12-triyl triacetate [ACD/IUPAC Name]
5,12-Epoxybenzocyclodecene-1,6,9-triol, tetradecahydro-1,6-dimethyl-10-methylene-4-(1-methylethyl)-, triacetate, (1R,4R,4aR,5R,6R,9S,12R,12aS)- [ACD/Index Name]
palmonine B
Triacétate de (1R,2S,3R,6R,7R,8R,9R,12S)-6-isopropyl-3,9-diméthyl-13-méthylène-15-oxatricyclo[6.6.1.02,7]pentadécane-3,9,12-triyle [French] [ACD/IUPAC Name]
(1R,4R,4aR,5R,6R,9S,12R,12aS)-1,6-dimethyl-10-methylidene-4-(propan-2-yl)tetradecahydro-5,12-epoxybenzo[10]annulene-1,6,9-triyl triacetate
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL471887/

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

Density: 1.1±0.1 g/cm3
Boiling Point: 508.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 77.9±3.0 kJ/mol
Flash Point: 213.6±30.2 °C
Index of Refraction: 1.507
Molar Refractivity: 123.0±0.4 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 5.10
ACD/LogD (pH 5.5): 5.11
ACD/BCF (pH 5.5): 4481.31
ACD/KOC (pH 5.5): 14297.78
ACD/LogD (pH 7.4): 5.11
ACD/BCF (pH 7.4): 4481.31
ACD/KOC (pH 7.4): 14297.78
Polar Surface Area: 88 Å2
Polarizability: 48.8±0.5 10-24cm3
Surface Tension: 40.7±5.0 dyne/cm
Molar Volume: 413.2±5.0 cm3

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