ChemSpider 2D Image | zhankuic acid B | C29H42O5

zhankuic acid B

  • Molecular FormulaC29H42O5
  • Average mass470.641 Da
  • Monoisotopic mass470.303223 Da
  • ChemSpider ID26375603

  • defined stereocentres - 8 of 9 defined stereocentres

More details:

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

(3α,4α,5α)-3-Hydroxy-4-methyl-7,11-dioxoergosta-8,24(28)-dien-26-oic acid [ACD/IUPAC Name]
(3α,4α,5α)-3-Hydroxy-4-methyl-7,11-dioxoergosta-8,24(28)-dien-26-säure [German] [ACD/IUPAC Name]
Acide (3α,4α,5α)-3-hydroxy-4-méthyl-7,11-dioxoergosta-8,24(28)-dién-26-oïque [French] [ACD/IUPAC Name]
Ergosta-8,24(28)-dien-26-oic acid, 3-hydroxy-4-methyl-7,11-dioxo-, (3α,4α,5α)- [ACD/Index Name]
zhankuic acid B
3α-hydroxy-4α-methylergosta-8,24(28)-dien-7,11-dione-26-oic acid
  • Miscellaneous

    • Chemical Class:

      A steroid acid that is ergosta-8,24(28)-dien-26-oic acid substituted by a hydroxy group at position 3, a methyl group at position 4 and oxo groups at positions 7 and 11 (the 3<stereo>alpha</stereo>,4< stereo>alpha</stereo>,5<stereo>alpha</stereo> stereoisomer). Isolated from <ital>Antrodia cinnamomea</ital> and <ital>Antrodia camphorata</ital>, it exhibits cytotoxic, anticholinergic and antiseroton ergic activities. ChEBI CHEBI:66504
      A steroid acid that is ergosta-8,24(28)-dien-26-oic acid substituted by a hydroxy group at position 3, a methyl group at position 4 and oxo groups at positions 7 and 11 (the 3alpha,4alpha,5alpha stere oisomer). Isolated from Antrodia cinnamomea and Antrodia camphorata, it exhibits cytotoxic, anticholinergic and antiserotonergic activities. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:66504, CHEBI:66504

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

Density: 1.2±0.1 g/cm3
Boiling Point: 627.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.2 mmHg at 25°C
Enthalpy of Vaporization: 106.5±6.0 kJ/mol
Flash Point: 347.6±28.0 °C
Index of Refraction: 1.555
Molar Refractivity: 130.4±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.70
ACD/LogD (pH 5.5): 3.94
ACD/BCF (pH 5.5): 339.72
ACD/KOC (pH 5.5): 1204.80
ACD/LogD (pH 7.4): 2.13
ACD/BCF (pH 7.4): 5.34
ACD/KOC (pH 7.4): 18.93
Polar Surface Area: 92 Å2
Polarizability: 51.7±0.5 10-24cm3
Surface Tension: 47.6±5.0 dyne/cm
Molar Volume: 406.4±5.0 cm3

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