ChemSpider 2D Image | 25-hydroxy-3-epidehydrotumulosic acid | C31H48O5

25-hydroxy-3-epidehydrotumulosic acid

  • Molecular FormulaC31H48O5
  • Average mass500.710 Da
  • Monoisotopic mass500.350189 Da
  • ChemSpider ID8544157

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(3α,16α)-3,16,25-Trihydroxy-24-methylenelanosta-7,9(11)-dien-21-oic acid [ACD/IUPAC Name]
(3α,16α)-3,16,25-Trihydroxy-24-methylenlanosta-7,9(11)-dien-21-säure [German] [ACD/IUPAC Name]
167775-55-5 [RN]
25-hydroxy-3-epidehydrotumulosic acid
Acide (3α,16α)-3,16,25-trihydroxy-24-méthylènelanosta-7,9(11)-dién-21-oïque [French] [ACD/IUPAC Name]
Lanosta-7,9(11)-dien-21-oic acid, 3,16,25-trihydroxy-24-methylene-, (3α,16α)- [ACD/Index Name]
(3α,16α)-3,16,25-trihydroxy-24-methylidenelanosta-7,9(11)-dien-21-oic acid
  • Miscellaneous

    • Chemical Class:

      A tetracyclic triterpenoid that is lanosta-7,9(11)-dien-21-oic acid substituted by hydroxy groups at positions 3, 16 and 25 and a methylidene group at position 24. It has been isolated from <ital>Por ia cocos</ital>. ChEBI CHEBI:68357
      A tetracyclic triterpenoid that is lanosta-7,9(11)-dien-21-oic acid substituted by hydroxy groups at positions 3, 16 and 25 and a methylidene group at position 24. It has been isolated from Por; ia c ocos. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:68357
      A tetracyclic triterpenoid that is lanosta-7,9(11)-dien-21-oic acid substituted by hydroxy groups at positions 3, 16 and 25 and a methylidene group at position 24. It has been isolated from Poria coc os. ChEBI CHEBI:68357

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

Density: 1.2±0.1 g/cm3
Boiling Point: 654.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.5 mmHg at 25°C
Enthalpy of Vaporization: 110.4±6.0 kJ/mol
Flash Point: 363.8±28.0 °C
Index of Refraction: 1.573
Molar Refractivity: 142.5±0.4 cm3
#H bond acceptors: 5
#H bond donors: 4
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 5.30
ACD/LogD (pH 5.5): 4.23
ACD/BCF (pH 5.5): 553.20
ACD/KOC (pH 5.5): 1647.74
ACD/LogD (pH 7.4): 2.43
ACD/BCF (pH 7.4): 8.70
ACD/KOC (pH 7.4): 25.92
Polar Surface Area: 98 Å2
Polarizability: 56.5±0.5 10-24cm3
Surface Tension: 50.1±5.0 dyne/cm
Molar Volume: 432.8±5.0 cm3

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