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ChemSpider 2D Image | (3beta,5alpha,6beta,8xi,9xi,14xi,17xi)-3,5,6,26-Tetrahydroxyergostan-25-yl acetate | C30H52O6

(3β,5α,6β,8ξ,9ξ,14ξ,17ξ)-3,5,6,26-Tetrahydroxyergostan-25-yl acetate

  • Molecular FormulaC30H52O6
  • Average mass508.730 Da
  • Monoisotopic mass508.376404 Da
  • ChemSpider ID17209486
  • defined stereocentres - 7 of 12 defined stereocentres


More details:





Date of deprecation: 10:10, Aug 26, 2015
Reason for deprecation: Deprecate record: there are no supporting data sources.

If you believe this record was deprecated in error, please use the Comment on this record button to contact the ChemSpider team.

Common reasons for deprecation are:
  • Chemically impossible structures (eg. incorrect valence atoms)
  • Lack of any linking data sources
  • Poor depiction of a structure that is already in ChemSpider

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

(3β,5α,6β,8ξ,9ξ,14ξ,17ξ)-3,5,6,26-Tetrahydroxyergostan-25-yl acetate [ACD/IUPAC Name]
(3β,5α,6β,8ξ,9ξ,14ξ,17ξ)-3,5,6,26-Tetrahydroxyergostan-25-yl-acetat [German] [ACD/IUPAC Name]
Acétate de (3β,5α,6β,8ξ,9ξ,14ξ,17ξ)-3,5,6,26-tétrahydroxyergostan-25-yle [French] [ACD/IUPAC Name]
Ergostane-3,5,6,25,26-pentol, 25-acetate, (3β,5α,6β,8ξ,9ξ,14ξ,17ξ)- [ACD/Index Name]
24S-ergostane-pentaol 25-monoacetate

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 618.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.1 mmHg at 25°C
Enthalpy of Vaporization: 105.1±6.0 kJ/mol
Flash Point: 191.2±23.6 °C
Index of Refraction: 1.544
Molar Refractivity: 140.6±0.3 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 5.42
ACD/LogD (pH 5.5): 4.61
ACD/BCF (pH 5.5): 1892.17
ACD/KOC (pH 5.5): 7713.38
ACD/LogD (pH 7.4): 4.61
ACD/BCF (pH 7.4): 1892.17
ACD/KOC (pH 7.4): 7713.38
Polar Surface Area: 107 Å2
Polarizability: 55.7±0.5 10-24cm3
Surface Tension: 48.6±3.0 dyne/cm
Molar Volume: 445.4±3.0 cm3

Click to predict properties on the Chemicalize site





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