ChemSpider 2D Image | (1beta,3alpha,7alpha,8alpha,11alpha)-3,8-Dihydroxy-6,16-dioxoabiet-15(17)-ene-1,7,11-triyl triacetate | C26H36O10

(1β,3α,7α,8α,11α)-3,8-Dihydroxy-6,16-dioxoabiet-15(17)-ene-1,7,11-triyl triacetate

  • Molecular FormulaC26H36O10
  • Average mass508.558 Da
  • Monoisotopic mass508.230835 Da
  • ChemSpider ID29418456

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(1β,3α,7α,8α,11α)-3,8-Dihydroxy-6,16-dioxoabiet-15(17)-en-1,7,11-triyl-triacetat [German] [ACD/IUPAC Name]
(1β,3α,7α,8α,11α)-3,8-Dihydroxy-6,16-dioxoabiet-15(17)-ene-1,7,11-triyl triacetate [ACD/IUPAC Name]
2-Phenanthreneacetaldehyde, 4,5,10-tris(acetyloxy)tetradecahydro-7,10a-dihydroxy-4b,8,8-trimethyl-α-methylene-9-oxo-, (2S,4R,4aS,4bR,5R,7R,8aS,10S,10aS)- [ACD/Index Name]
Triacétate de (1β,3α,7α,8α,11α)-3,8-dihydroxy-6,16-dioxoabiét-15(17)-ène-1,7,11-triyle [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 602.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.9 mmHg at 25°C
Enthalpy of Vaporization: 102.8±6.0 kJ/mol
Flash Point: 193.0±25.0 °C
Index of Refraction: 1.543
Molar Refractivity: 124.8±0.4 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 0.51
ACD/LogD (pH 5.5): 1.16
ACD/BCF (pH 5.5): 4.45
ACD/KOC (pH 5.5): 101.38
ACD/LogD (pH 7.4): 1.16
ACD/BCF (pH 7.4): 4.45
ACD/KOC (pH 7.4): 101.38
Polar Surface Area: 154 Å2
Polarizability: 49.5±0.5 10-24cm3
Surface Tension: 52.9±5.0 dyne/cm
Molar Volume: 395.9±5.0 cm3

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