ChemSpider 2D Image | Taxusin | C28H40O8

Taxusin

  • Molecular FormulaC28H40O8
  • Average mass504.612 Da
  • Monoisotopic mass504.272308 Da
  • ChemSpider ID146810
  • defined stereocentres - 7 of 7 defined stereocentres


More details:






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

(5α,9α,10β,13α)-Taxa-4(20),11-dien-5,9,10,13-tetrayl-tetraacetat [German] [ACD/IUPAC Name]
(5α,9α,10β,13α)-Taxa-4(20),11-diene-5,9,10,13-tetrayl tetraacetate [ACD/IUPAC Name]
6,10-Methanobenzocyclodecene-3,8,11,12-tetrol, 1,2,3,4,4a,5,6,7,8,11,12,12a-dodecahydro-9,12a,13,13-tetramethyl-4-methylene-, tetraacetate, (3S,4aR,6R,8S,11R,12R,12aR)- [ACD/Index Name]
Taxusin
Tetraacétate de (5α,9α,10β,13α)-taxa-4(20),11-diène-5,9,10,13-tétrayle [French] [ACD/IUPAC Name]
(+)-taxusin
19605-80-2 [RN]
6,10-Methanobenzocyclodecene-3,8,11,12-tetrol, 1,2,3,4,4a,5,6,7,8,11,12,12a-dodecahydro-9,12a,13,13-tetramethyl-4-methylene-, tetraacetate, (4aS-(4aα,6α,9β,12aβ))-
Acetic acid 5,9,13-triacetoxy-8,12,15,15-tetramethyl-4-methylene-tricyclo[9.3.1.0*3,8*]pentadec-11-en-10-yl ester
taxa-4(20),11-diene-5α,9α,10β,13α-tetrayl tetraacetate

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

CHEBI:63664 [DBID]
  • Miscellaneous
    • Chemical Class:

      A taxane diterpenoid that is taxa-4(20),11-diene in which the 5<stereo>alpha</stereo>, 9<stereo>alpha</stereo>, 10<stereo>beta</stereo> and 13<stereo>alpha</stereo> hydrogens have been replaced by ace toxy groups. It is a prominent secondary metabolite of yew heartwood. ChEBI CHEBI:63664

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 537.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.4±3.0 kJ/mol
Flash Point: 224.4±30.2 °C
Index of Refraction: 1.519
Molar Refractivity: 131.9±0.4 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 5.35
ACD/LogD (pH 5.5): 5.26
ACD/BCF (pH 5.5): 5877.28
ACD/KOC (pH 5.5): 17360.76
ACD/LogD (pH 7.4): 5.26
ACD/BCF (pH 7.4): 5877.28
ACD/KOC (pH 7.4): 17360.76
Polar Surface Area: 105 Å2
Polarizability: 52.3±0.5 10-24cm3
Surface Tension: 42.7±5.0 dyne/cm
Molar Volume: 434.6±5.0 cm3

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