ChemSpider 2D Image | (1alpha,3beta,5beta,7beta,8alpha,9beta,10alpha,11beta)-3-Hydroxy-6,15-dioxokaur-16-ene-1,7,11-triyl triacetate | C26H34O9

(1α,3β,5β,7β,8α,9β,10α,11β)-3-Hydroxy-6,15-dioxokaur-16-ene-1,7,11-triyl triacetate

  • Molecular FormulaC26H34O9
  • Average mass490.543 Da
  • Monoisotopic mass490.220276 Da
  • ChemSpider ID24715558

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(1α,3β,5β,7β,8α,9β,10α,11β)-3-Hydroxy-6,15-dioxokaur-16-en-1,7,11-triyl-triacetat [German] [ACD/IUPAC Name]
(1α,3β,5β,7β,8α,9β,10α,11β)-3-Hydroxy-6,15-dioxokaur-16-ene-1,7,11-triyl triacetate [ACD/IUPAC Name]
Triacétate de (1α,3β,5β,7β,8α,9β,10α,11β)-3-hydroxy-6,15-dioxokaur-16-ène-1,7,11-triyle [French] [ACD/IUPAC Name]
[111917-59-0] [RN]
111917-59-0 [RN]
Adenanthin
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL513653/
MFCD20260622

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

Density: 1.3±0.1 g/cm3
Boiling Point: 593.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.8 mmHg at 25°C
Enthalpy of Vaporization: 101.5±6.0 kJ/mol
Flash Point: 192.6±23.6 °C
Index of Refraction: 1.550
Molar Refractivity: 121.0±0.4 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.36
ACD/LogD (pH 5.5): 2.00
ACD/BCF (pH 5.5): 19.57
ACD/KOC (pH 5.5): 292.55
ACD/LogD (pH 7.4): 2.00
ACD/BCF (pH 7.4): 19.57
ACD/KOC (pH 7.4): 292.55
Polar Surface Area: 133 Å2
Polarizability: 48.0±0.5 10-24cm3
Surface Tension: 51.6±5.0 dyne/cm
Molar Volume: 379.7±5.0 cm3

Click to predict properties on the Chemicalize site


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