ChemSpider 2D Image | (4beta,5beta,6beta,14beta,15alpha,22R)-4,14-Dihydroxy-1,26-dioxo-5,6:22,26-diepoxyergosta-2,24-dien-15-yl acetate | C30H40O8

(4β,5β,6β,14β,15α,22R)-4,14-Dihydroxy-1,26-dioxo-5,6:22,26-diepoxyergosta-2,24-dien-15-yl acetate

  • Molecular FormulaC30H40O8
  • Average mass528.634 Da
  • Monoisotopic mass528.272339 Da
  • ChemSpider ID68026969

  • defined stereocentres - 12 of 12 defined stereocentres

More details:

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

(4β,5β,6β,14β,15α,22R)-4,14-Dihydroxy-1,26-dioxo-5,6:22,26-diepoxyergosta-2,24-dien-15-yl acetate [ACD/IUPAC Name]
(4β,5β,6β,14β,15α,22R)-4,14-Dihydroxy-1,26-dioxo-5,6:22,26-diepoxyergosta-2,24-dien-15-yl-acetat [German] [ACD/IUPAC Name]
100217-92-3 [RN]
Acétate de (4β,5β,6β,14β,15α,22R)-4,14-dihydroxy-1,26-dioxo-5,6:22,26-diépoxyergosta-2,24-dién-15-yle [French] [ACD/IUPAC Name]
Ergosta-2,24-diene-1,26-dione, 15-(acetyloxy)-5,6:22,26-diepoxy-4,14-dihydroxy-, (4β,5β,6β,14β,15α,22R)- [ACD/Index Name]
(20S,22R)-15α-acetoxy-5β,6β-epoxy-4β,14β-dihydroxy-1-oxo-witha- 2,24-dienolide
[(1S,2R,6S,7R,9R,11R,12S,13S,15R,16R)-15-[(1S)-1-[(2R)-4,5-dimethyl-6-oxo-2,3-dihydropyran-2-yl]ethyl]-6,12-dihydroxy-2,16-dimethyl-3-oxo-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadec-4-en-13-yl] acetate
15-[1-(4,5-dimethyl-6-oxo-3,6-dihydro-2H-pyran-2-yl)ethyl]-6,12-dihydroxy-2,16-dimethyl-3-oxo-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadec-4-en-13-yl acetate
Physapubenolide

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

Density: 1.3±0.1 g/cm3
Boiling Point: 692.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.9 mmHg at 25°C
Enthalpy of Vaporization: 116.0±6.0 kJ/mol
Flash Point: 224.4±25.0 °C
Index of Refraction: 1.594
Molar Refractivity: 136.6±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 1.81
ACD/LogD (pH 5.5): 2.36
ACD/BCF (pH 5.5): 36.27
ACD/KOC (pH 5.5): 454.95
ACD/LogD (pH 7.4): 2.36
ACD/BCF (pH 7.4): 36.27
ACD/KOC (pH 7.4): 454.95
Polar Surface Area: 123 Å2
Polarizability: 54.1±0.5 10-24cm3
Surface Tension: 56.3±5.0 dyne/cm
Molar Volume: 402.3±5.0 cm3

Click to predict properties on the Chemicalize site


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