Found 1 result

Search term: ANGCIHCSPJLGME (Found by InChIKey (skeleton match))

ChemSpider 2D Image | (1alpha,3beta,22R)-3,20-Dihydroxy-26-oxo-22,26-epoxyergosta-5,24-dien-1-yl acetate | C30H44O6

(1α,3β,22R)-3,20-Dihydroxy-26-oxo-22,26-epoxyergosta-5,24-dien-1-yl acetate

  • Molecular FormulaC30H44O6
  • Average mass500.667 Da
  • Monoisotopic mass500.313782 Da
  • ChemSpider ID138420
  • defined stereocentres - 10 of 10 defined stereocentres


More details:






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

(1α,3β,22R)-3,20-Dihydroxy-26-oxo-22,26-epoxyergosta-5,24-dien-1-yl acetate [ACD/IUPAC Name]
(1α,3β,22R)-3,20-Dihydroxy-26-oxo-22,26-epoxyergosta-5,24-dien-1-yl-acetat [German] [ACD/IUPAC Name]
78916-78-6 [RN]
Acétate de (1α,3β,22R)-3,20-dihydroxy-26-oxo-22,26-époxyergosta-5,24-dién-1-yle [French] [ACD/IUPAC Name]
Ergosta-5,24-dien-26-one, 1-(acetyloxy)-22,26-epoxy-3,20-dihydroxy-, (1α,3β,22R)- [ACD/Index Name]
(1S,3R,8S,9S,10R,13R,14S,17S)-17-[(1R)-1-[(2R)-4,5-DIMETHYL-6-OXO-2,3 -DIHYDROPYRAN-2-YL]-1-HYDROXY-ETHYL]-3-HYDROXY-10,13-DIMETHYL-2,3,4,7,8,9,11,12,14,15,16,17-DODECAHYDRO-1H-CYCLOPENTA[A]PHENANTHREN-1-YL] AC ETATE
Ergosta-5,24-dien-26-oic acid, 1-(acetyloxy)-3,20,22-trihydroxy-,δ-lactone, (1α,3β,22R)-

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

Density: 1.2±0.1 g/cm3
Boiling Point: 632.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.2 mmHg at 25°C
Enthalpy of Vaporization: 107.1±6.0 kJ/mol
Flash Point: 200.8±25.0 °C
Index of Refraction: 1.568
Molar Refractivity: 136.5±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 4.51
ACD/LogD (pH 5.5): 4.70
ACD/BCF (pH 5.5): 2183.60
ACD/KOC (pH 5.5): 8546.26
ACD/LogD (pH 7.4): 4.70
ACD/BCF (pH 7.4): 2183.60
ACD/KOC (pH 7.4): 8546.26
Polar Surface Area: 93 Å2
Polarizability: 54.1±0.5 10-24cm3
Surface Tension: 49.7±5.0 dyne/cm
Molar Volume: 417.3±5.0 cm3

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