ChemSpider 2D Image | (2alpha,5alpha,9alpha,10beta)-13-Oxotaxa-4(20),11-diene-2,5,9,10-tetrayl tetraacetate | C28H38O9

(2α,5α,9α,10β)-13-Oxotaxa-4(20),11-diene-2,5,9,10-tetrayl tetraacetate

  • Molecular FormulaC28H38O9
  • Average mass518.596 Da
  • Monoisotopic mass518.251587 Da
  • ChemSpider ID23108446

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(2α,5α,9α,10β)-13-Oxotaxa-4(20),11-dien-2,5,9,10-tetrayl-tetraacetat [German] [ACD/IUPAC Name]
(2α,5α,9α,10β)-13-Oxotaxa-4(20),11-diene-2,5,9,10-tetrayl tetraacetate [ACD/IUPAC Name]
6,10-Methanobenzocyclodecen-8(2H)-one, 3,5,11,12-tetrakis(acetyloxy)-1,3,4,4a,5,6,7,11,12,12a-decahydro-9,12a,13,13-tetramethyl-4-methylene-, (3S,4aR,5R,6R,11R,12R,12aR)- [ACD/Index Name]
Tetraacétate de (2α,5α,9α,10β)-13-oxotaxa-4(20),11-diène-2,5,9,10-tétrayle [French] [ACD/IUPAC Name]
18530-10-4 [RN]
8,12,15,15-tetramethyl-2,5,10-tri(methylcarbonyloxy)-4-methylene-13-oxotricyclo[9.3.1.03,8]pentadec-11-en-9-yl acetate
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL268858/

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

Density: 1.2±0.1 g/cm3
Boiling Point: 571.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 85.7±3.0 kJ/mol
Flash Point: 239.5±30.2 °C
Index of Refraction: 1.524
Molar Refractivity: 132.0±0.4 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 3.77
ACD/LogD (pH 5.5): 4.05
ACD/BCF (pH 5.5): 706.80
ACD/KOC (pH 5.5): 3811.78
ACD/LogD (pH 7.4): 4.05
ACD/BCF (pH 7.4): 706.80
ACD/KOC (pH 7.4): 3811.78
Polar Surface Area: 122 Å2
Polarizability: 52.3±0.5 10-24cm3
Surface Tension: 44.8±5.0 dyne/cm
Molar Volume: 431.4±5.0 cm3

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