ChemSpider 2D Image | zhankuic acid C | C29H42O6

zhankuic acid C

  • Molecular FormulaC29H42O6
  • Average mass486.640 Da
  • Monoisotopic mass486.298126 Da
  • ChemSpider ID26381196

  • defined stereocentres - 9 of 10 defined stereocentres

More details:

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

(3α,4α,5α,12α)-3,12-Dihydroxy-4-methyl-7,11-dioxoergosta-8,24(28)-dien-26-oic acid [ACD/IUPAC Name]
(3α,4α,5α,12α)-3,12-Dihydroxy-4-methyl-7,11-dioxoergosta-8,24(28)-dien-26-säure [German] [ACD/IUPAC Name]
Acide (3α,4α,5α,12α)-3,12-dihydroxy-4-méthyl-7,11-dioxoergosta-8,24(28)-dién-26-oïque [French] [ACD/IUPAC Name]
Ergosta-8,24(28)-dien-26-oic acid, 3,12-dihydroxy-4-methyl-7,11-dioxo-, (3α,4α,5α,12α)- [ACD/Index Name]
zhankuic acid C
3α,12α-dihydroxy-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 hydroxy groups at positions 3 and 12, a methyl group at position 4 and oxo groups at positions 7 and 11 (the 3<stereo>alpha</ste reo>,4<stereo>alpha</stereo>,5<stereo>alpha</stereo>,12<stereo>alpha</stereo> stereoisomer). Isolated from <ital>Antrodia cinnamomea</ital> and <ital>Antrodia camphorata</ital>, it exhibits antineopla stic activity. ChEBI CHEBI:66505
      A steroid acid that is ergosta-8,24(28)-dien-26-oic acid substituted by hydroxy groups at positions 3 and 12, a methyl group at position 4 and oxo groups at positions 7 and 11 (the 3alpha,4alpha,5alph a,12alpha stereoisomer). Isolated from Antrodia cinnamomea and Antrodia camphorata, it exhibits antineoplastic activity. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:66505, CHEBI:66505

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

Density: 1.2±0.1 g/cm3
Boiling Point: 661.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.5 mmHg at 25°C
Enthalpy of Vaporization: 111.5±6.0 kJ/mol
Flash Point: 368.1±28.0 °C
Index of Refraction: 1.566
Molar Refractivity: 131.9±0.4 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.70
ACD/LogD (pH 5.5): 2.94
ACD/BCF (pH 5.5): 59.47
ACD/KOC (pH 5.5): 345.98
ACD/LogD (pH 7.4): 1.14
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 5.44
Polar Surface Area: 112 Å2
Polarizability: 52.3±0.5 10-24cm3
Surface Tension: 51.4±5.0 dyne/cm
Molar Volume: 404.2±5.0 cm3

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