ChemSpider 2D Image | (5beta,8alpha,13alpha)-16-Hydroxy-18,20-epoxykauran-18-one | C20H30O3

(5β,8α,13α)-16-Hydroxy-18,20-epoxykauran-18-one

  • Molecular FormulaC20H30O3
  • Average mass318.450 Da
  • Monoisotopic mass318.219482 Da
  • ChemSpider ID34448442

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(5β,8α,13α)-16-Hydroxy-18,20-epoxykauran-18-on [German] [ACD/IUPAC Name]
(5β,8α,13α)-16-Hydroxy-18,20-epoxykauran-18-one [ACD/IUPAC Name]
(5β,8α,13α)-16-Hydroxy-18,20-époxykauran-18-one [French] [ACD/IUPAC Name]
139122-81-9 [RN]
Hypodiolide A
Kauran-18-oic acid, 16,20-dihydroxy-, δ-lactone,(4α)-
Tripterifordin
  • Miscellaneous

    • Chemical Class:

      A kaurane diterpenoid that is (5<stereo>beta</stereo>,8<stereo>alpha</stereo>,13<stereo>alpha</stereo>)-18,20-epoxykauran-18-one substituted by a hydroxy group at position 16. Isolated from the roots of <ital>Tripterygium wilfordii</ital>, it exhibits anti-HIV activity. ChEBI CHEBI:66275
      A kaurane diterpenoid that is (5beta,8alpha,13alpha)-18,20-epoxykauran-18-one substituted by a hydroxy group at position 16. Isolated from the roots ; of Tripterygium wilfordii, it exhibits anti-HIV a ctivity. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:66275
      A kaurane diterpenoid that is (5beta,8alpha,13alpha)-18,20-epoxykauran-18-one substituted by a hydroxy group at position 16. Isolated from the roots of Tripterygium wilfordii, it exhibits anti-HIV act ivity. ChEBI CHEBI:66275

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

Density: 1.2±0.1 g/cm3
Boiling Point: 485.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 86.5±6.0 kJ/mol
Flash Point: 198.6±21.5 °C
Index of Refraction: 1.570
Molar Refractivity: 87.8±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 3.20
ACD/LogD (pH 5.5): 3.53
ACD/BCF (pH 5.5): 284.04
ACD/KOC (pH 5.5): 1984.90
ACD/LogD (pH 7.4): 3.53
ACD/BCF (pH 7.4): 284.04
ACD/KOC (pH 7.4): 1984.90
Polar Surface Area: 47 Å2
Polarizability: 34.8±0.5 10-24cm3
Surface Tension: 48.3±5.0 dyne/cm
Molar Volume: 267.5±5.0 cm3

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