ChemSpider 2D Image | taxinine | C35H42O9

taxinine

  • Molecular FormulaC35H42O9
  • Average mass606.703 Da
  • Monoisotopic mass606.282898 Da
  • ChemSpider ID8229973

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(2E)-3-Phénylacrylate de (2α,5α,9α,10β)-2,9,10-triacétoxy-13-oxotaxa-4(20),11-dién-5-yle [French] [ACD/IUPAC Name]
(2α,5α,9α,10β)-2,9,10-Triacetoxy-13-oxotaxa-4(20),11-dien-5-yl (2E)-3-phenylacrylate [ACD/IUPAC Name]
(2α,5α,9α,10β)-2,9,10-Triacetoxy-13-oxotaxa-4(20),11-dien-5-yl-(2E)-3-phenylacrylat [German] [ACD/IUPAC Name]
(2α,5α,9α,10β)-2,9,10-tris(acetyloxy)-13-oxotaxa-4(20),11-dien-5-yl (2E)-3-phenylprop-2-enoate
2-Propenoic acid, 3-phenyl-, (3S,4aR,5R,6R,11R,12R,12aR)-5,11,12-tris(acetyloxy)-1,2,3,4,4a,5,6,7,8,11,12,12a-dodecahydro-9,12a,13,13-tetramethyl-4-methylene-8-oxo-6,10-methanobenzocyclodecen-3-yl est er, (2E)- [ACD/Index Name]
2-propenoic acid, 3-phenyl-, (3S,4aR,5R,6R,11R,12R,12aR)-5,11,12-tris(acetyloxy)-1,2,3,4,4a,5,6,7,8,11,12,12a-dodecahydro-9,12a,13,13-tetramethyl-4-methylene-8-oxo-6,10-methanobenzocyclodecen-3-yl ester, (2E)-
3835-52-7 [RN]
B7554596HX
taxinine
(E)-3-Phenyl-acrylic acid (1R,2R,3R,5S,8R,9R,10R)-2,9,10-triacetoxy-8,12,15,15-tetramethyl-4-methylene-13-oxo-tricyclo[9.3.1.0*3,8*]pentadec-11-en-5-yl ester
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.2±0.1 g/cm3
    Boiling Point: 669.7±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.0 mmHg at 25°C
    Enthalpy of Vaporization: 98.4±3.0 kJ/mol
    Flash Point: 275.2±31.5 °C
    Index of Refraction: 1.560
    Molar Refractivity: 161.2±0.4 cm3
    #H bond acceptors: 9
    #H bond donors: 0
    #Freely Rotating Bonds: 10
    #Rule of 5 Violations: 2
    ACD/LogP: 5.77
    ACD/LogD (pH 5.5): 5.95
    ACD/BCF (pH 5.5): 19693.59
    ACD/KOC (pH 5.5): 41253.82
    ACD/LogD (pH 7.4): 5.95
    ACD/BCF (pH 7.4): 19693.59
    ACD/KOC (pH 7.4): 41253.82
    Polar Surface Area: 122 Å2
    Polarizability: 63.9±0.5 10-24cm3
    Surface Tension: 48.7±5.0 dyne/cm
    Molar Volume: 498.9±5.0 cm3

    Click to predict properties on the Chemicalize site


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