ChemSpider 2D Image | (3beta,5beta)-3-Hydroxycard-20(22)-enolide | C23H34O3

(3β,5β)-3-Hydroxycard-20(22)-enolide

  • Molecular FormulaC23H34O3
  • Average mass358.514 Da
  • Monoisotopic mass358.250793 Da
  • ChemSpider ID28537003
  • defined stereocentres - 8 of 8 defined stereocentres


More details:






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

(3β,5β)-3-Hydroxycard-20(22)-enolid [German] [ACD/IUPAC Name]
(3β,5β)-3-Hydroxycard-20(22)-enolide [ACD/IUPAC Name]
(3β,5β)-3-Hydroxycard-20(22)-énolide [French] [ACD/IUPAC Name]
Card-20(22)-enolide, 3-hydroxy-, (3β,5β)- [ACD/Index Name]
143-62-4 [RN]
1616-05-3 [RN]
3-[(3S,5R,8R,9S,10S,13S,14R,17S)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
3b,14-Dihydroxy-5b-card-20(22)-enolide
4-((3S,5R,8R,9S,10S,13S,14R,17S)-3-Hydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)furan-2(5H)-one
Digitoxigenin [Wiki]
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 515.9±23.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 90.7±6.0 kJ/mol
Flash Point: 205.9±15.4 °C
Index of Refraction: 1.561
Molar Refractivity: 101.2±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 4.80
ACD/LogD (pH 5.5): 4.33
ACD/BCF (pH 5.5): 1152.49
ACD/KOC (pH 5.5): 5409.03
ACD/LogD (pH 7.4): 4.33
ACD/BCF (pH 7.4): 1152.49
ACD/KOC (pH 7.4): 5409.03
Polar Surface Area: 47 Å2
Polarizability: 40.1±0.5 10-24cm3
Surface Tension: 45.4±3.0 dyne/cm
Molar Volume: 312.3±3.0 cm3

Click to predict properties on the Chemicalize site






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