ChemSpider 2D Image | 3-Epicorosolic acid | C30H48O4

3-Epicorosolic acid

  • Molecular FormulaC30H48O4
  • Average mass472.700 Da
  • Monoisotopic mass472.355255 Da
  • ChemSpider ID23296141

  • defined stereocentres - 11 of 11 defined stereocentres

More details:

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

(2α,3α)-2,3-Dihydroxyurs-12-en-28-oic acid [ACD/IUPAC Name]
(2α,3α)-2,3-Dihydroxyurs-12-en-28-säure [German] [ACD/IUPAC Name]
2,3-Dihydroxy-urs-12-en-28-oic acid
3-Epicorosolic acid
52213-27-1 [RN]
Acide (2α,3α)-2,3-dihydroxyurs-12-én-28-oïque [French] [ACD/IUPAC Name]
Urs-12-en-28-oic acid, 2,3-dihydroxy-, (2α,3α)- [ACD/Index Name]
(1S,2R,4aS,6aR,6aS,6bR,8aR,10S,11R,12aR,14bS)-10,11-dihydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid
[52213-27-1] [RN]
3-epi-corosolic acid
More...
  • Miscellaneous

    • Compound Source:

      Isolated from a plant Susan Richardson [Structure found in DOI: 10.1590/S0102-695X2006000400023 and confirmed from DOI: 10.1590/S0100-40422002000300002]
      Styrax camporum (Styracaceae) Susan Richardson [Structure found in DOI: 10.1590/S0102-695X2006000400023 and confirmed from DOI: 10.1590/S0100-40422002000300002]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 573.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.6 mmHg at 25°C
Enthalpy of Vaporization: 98.7±6.0 kJ/mol
Flash Point: 314.6±26.6 °C
Index of Refraction: 1.567
Molar Refractivity: 135.0±0.4 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 1
ACD/LogP: 7.82
ACD/LogD (pH 5.5): 6.54
ACD/BCF (pH 5.5): 33453.99
ACD/KOC (pH 5.5): 33564.36
ACD/LogD (pH 7.4): 4.74
ACD/BCF (pH 7.4): 527.71
ACD/KOC (pH 7.4): 529.45
Polar Surface Area: 78 Å2
Polarizability: 53.5±0.5 10-24cm3
Surface Tension: 48.5±5.0 dyne/cm
Molar Volume: 413.6±5.0 cm3

Click to predict properties on the Chemicalize site


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