Found 60 results

Search term: MF = 'C_{32}H_{42}O_{10}'
ChemSpider 2D Image | (4beta,5beta,6beta,7beta,16alpha,22R)-4,20-Dihydroxy-1,26-dioxo-5,6:22,26-diepoxyergosta-2,24-diene-7,16-diyl diacetate | C32H42O10

(4β,5β,6β,7β,16α,22R)-4,20-Dihydroxy-1,26-dioxo-5,6:22,26-diepoxyergosta-2,24-diene-7,16-diyl diacetate

  • Molecular FormulaC32H42O10
  • Average mass586.670 Da
  • Monoisotopic mass586.277771 Da
  • ChemSpider ID552326

  • defined stereocentres - 13 of 13 defined stereocentres

More details:

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

(4β,5β,6β,7β,16α,22R)-4,20-Dihydroxy-1,26-dioxo-5,6:22,26-diepoxyergosta-2,24-dien-7,16-diyl-diacetat [German] [ACD/IUPAC Name]
(4β,5β,6β,7β,16α,22R)-4,20-Dihydroxy-1,26-dioxo-5,6:22,26-diepoxyergosta-2,24-diene-7,16-diyl diacetate [ACD/IUPAC Name]
(4β,5β,6β,7β,8ξ,16α,22R)-4,20-Dihydroxy-1,26-dioxo-5,6:22,26-diepoxyergosta-2,24-diene-7,16-diyl diacetate
Diacétate de (4β,5β,6β,7β,16α,22R)-4,20-dihydroxy-1,26-dioxo-5,6:22,26-diépoxyergosta-2,24-diène-7,16-diyle [French] [ACD/IUPAC Name]
Ergosta-2,24-diene-1,26-dione, 7,16-bis(acetyloxy)-5,6:22,26-diepoxy-4,20-dihydroxy-, (4β,5β,6β,7β,16α,22R)- [ACD/Index Name]
7β,16α-Diacetoxy withanolide D
7β,16α-diacetoxy-4β,20R-dihydroxy-5β,6β-epoxy-1-oxo-witha-2,24-dienolide
7β,16α-diacetoxywithanolide D
Acetic acid 16-acetoxy-17-[1-(4,5-dimethyl-6-oxo-3,6-dihydro-2H-pyran-2-yl)-1-hydroxy-ethyl]-4-hydroxy-10,13-dimethyl-1-oxo-1,4,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-20-oxa-cyclopropa[5,6]cyclopenta[a]phenanthren-7-yl ester

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

Density: 1.3±0.1 g/cm3
Boiling Point: 732.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.4 mmHg at 25°C
Enthalpy of Vaporization: 122.1±6.0 kJ/mol
Flash Point: 232.9±26.4 °C
Index of Refraction: 1.590
Molar Refractivity: 147.7±0.4 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 2.08
ACD/LogD (pH 5.5): 2.46
ACD/BCF (pH 5.5): 43.31
ACD/KOC (pH 5.5): 516.47
ACD/LogD (pH 7.4): 2.46
ACD/BCF (pH 7.4): 43.31
ACD/KOC (pH 7.4): 516.47
Polar Surface Area: 149 Å2
Polarizability: 58.5±0.5 10-24cm3
Surface Tension: 57.6±5.0 dyne/cm
Molar Volume: 437.7±5.0 cm3

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