ChemSpider 2D Image | Decinnamoyltaxinine J | C30H42O11

Decinnamoyltaxinine J

  • Molecular FormulaC30H42O11
  • Average mass578.648 Da
  • Monoisotopic mass578.272705 Da
  • ChemSpider ID23168598

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(2α,5α,7β,9α,10β,13α)-5-Hydroxytaxa-4(20),11-dien-2,7,9,10,13-pentayl-pentaacetat [German] [ACD/IUPAC Name]
(2α,5α,7β,9α,10β,13α)-5-Hydroxytaxa-4(20),11-diene-2,7,9,10,13-pentayl pentaacetate [ACD/IUPAC Name]
6,10-Methanobenzocyclodecene-1,3,5,8,11,12-hexol, 1,2,3,4,4a,5,6,7,8,11,12,12a-dodecahydro-9,12a,13,13-tetramethyl-4-methylene-, 1,5,8,11,12-pentaacetate, (1S,3S,4aR,5R,6R,8S,11R,12R,12aS)- [ACD/Index Name]
Decinnamoyltaxinine J [Wiki]
Pentaacétate de (2α,5α,7β,9α,10β,13α)-5-hydroxytaxa-4(20),11-diène-2,7,9,10,13-pentayle [French] [ACD/IUPAC Name]
[(1R,2R,3R,5S,7S,8S,9R,10R,13S)-2,7,9,10-tetraacetyloxy-5-hydroxy-8,12,15,15-tetramethyl-4-methylidene-13-tricyclo[9.3.1.03,8]pentadec-11-enyl] acetate
84652-33-5 [RN]
Acetic acid (1R,2R,3R,5S,7S,8S,9R,10R,13S)-2,7,9,13-tetraacetoxy-5-hydroxy-8,12,15,15-tetramethyl-4-methylene-tricyclo[9.3.1.0*3,8*]pentadec-11-en-10-yl ester
Acetic acid 2,7,9,13-tetraacetoxy-5-hydroxy-8,12,15,15-tetramethyl-4-methylene-tricyclo[9.3.1.0*3,8*]pentadec-11-en-10-yl ester
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL312298/
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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: 605.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.9 mmHg at 25°C
Enthalpy of Vaporization: 103.3±6.0 kJ/mol
Flash Point: 183.8±25.0 °C
Index of Refraction: 1.530
Molar Refractivity: 144.5±0.4 cm3
#H bond acceptors: 11
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 3.45
ACD/LogD (pH 5.5): 3.72
ACD/BCF (pH 5.5): 399.34
ACD/KOC (pH 5.5): 2533.07
ACD/LogD (pH 7.4): 3.72
ACD/BCF (pH 7.4): 399.34
ACD/KOC (pH 7.4): 2533.06
Polar Surface Area: 152 Å2
Polarizability: 57.3±0.5 10-24cm3
Surface Tension: 47.7±5.0 dyne/cm
Molar Volume: 467.9±5.0 cm3

Click to predict properties on the Chemicalize site


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