ChemSpider 2D Image | 3beta-Acetoxyeriocasin D | C24H34O8

3β-Acetoxyeriocasin D

  • Molecular FormulaC24H34O8
  • Average mass450.522 Da
  • Monoisotopic mass450.225372 Da
  • ChemSpider ID26379673

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(1α,3β,5β,6β,8α,9β,10α,13β)-1,6-Dihydroxy-7,16-dioxoabiet-15(17)-en-3,18-diyl-diacetat [German] [ACD/IUPAC Name]
(1α,3β,5β,6β,8α,9β,10α,13β)-1,6-Dihydroxy-7,16-dioxoabiet-15(17)-ene-3,18-diyl diacetate [ACD/IUPAC Name]
2-Phenanthreneacetaldehyde, 7-(acetyloxy)-8-[(acetyloxy)methyl]tetradecahydro-5,9-dihydroxy-4b,8-dimethyl-α-methylene-10-oxo-, (2R,4aR,4bS,5S,7S,8R,8aS,9S,10aR)- [ACD/Index Name]
3β-Acetoxyeriocasin D
Diacétate de (1α,3β,5β,6β,8α,9β,10α,13β)-1,6-dihydroxy-7,16-dioxoabiét-15(17)-ène-3,18-diyle [French] [ACD/IUPAC Name]
3β,19-diacetoxy-1α,6β-dihydroxy-7,16-dioxoent-abieta-15(17)-ene

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

Density: 1.3±0.1 g/cm3
Boiling Point: 584.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.7 mmHg at 25°C
Enthalpy of Vaporization: 100.3±6.0 kJ/mol
Flash Point: 192.8±23.6 °C
Index of Refraction: 1.543
Molar Refractivity: 113.7±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 1.02
ACD/LogD (pH 5.5): 1.77
ACD/BCF (pH 5.5): 13.01
ACD/KOC (pH 5.5): 218.42
ACD/LogD (pH 7.4): 1.77
ACD/BCF (pH 7.4): 13.01
ACD/KOC (pH 7.4): 218.42
Polar Surface Area: 127 Å2
Polarizability: 45.1±0.5 10-24cm3
Surface Tension: 51.5±5.0 dyne/cm
Molar Volume: 360.5±5.0 cm3

Click to predict properties on the Chemicalize site


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