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Search term: 77089187 (Found by CSID)
ChemSpider 2D Image | stachatranone A | C20H30O3

stachatranone A

  • Molecular FormulaC20H30O3
  • Average mass318.450 Da
  • Monoisotopic mass318.219482 Da
  • ChemSpider ID77089187

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(1aS,3R,4E,7aS,10aR,11aS)-3-Hydroxy-8-isopropyl-1a,5,10a-trimethyl-2,3,6,7,7a,10a,11,11a-octahydrocyclopenta[4,5]cycloundeca[1,2-b]oxiren-10(1aH)-on [German] [ACD/IUPAC Name]
(1aS,3R,4E,7aS,10aR,11aS)-3-Hydroxy-8-isopropyl-1a,5,10a-trimethyl-2,3,6,7,7a,10a,11,11a-octahydrocyclopenta[4,5]cycloundeca[1,2-b]oxiren-10(1aH)-one [ACD/IUPAC Name]
(1aS,3R,4E,7aS,10aR,11aS)-3-Hydroxy-8-isopropyl-1a,5,10a-triméthyl-2,3,6,7,7a,10a,11,11a-octahydrocyclopenta[4,5]cycloundéca[1,2-b]oxirén-10(1aH)-one [French] [ACD/IUPAC Name]
Cyclopenta[4,5]cycloundec[1,2-b]oxiren-10(1aH)-one, 2,3,6,7,7a,10a,11,11a-octahydro-3-hydroxy-1a,5,10a-trimethyl-8-(1-methylethyl)-, (1aS,3R,4E,7aS,10aR,11aS)- [ACD/Index Name]
stachatranone A
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL4466628/

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

Density: 1.1±0.1 g/cm3
Boiling Point: 450.3±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 81.8±6.0 kJ/mol
Flash Point: 153.5±22.2 °C
Index of Refraction: 1.525
Molar Refractivity: 91.0±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 3.46
ACD/LogD (pH 5.5): 3.63
ACD/BCF (pH 5.5): 340.84
ACD/KOC (pH 5.5): 2261.55
ACD/LogD (pH 7.4): 3.63
ACD/BCF (pH 7.4): 340.84
ACD/KOC (pH 7.4): 2261.55
Polar Surface Area: 50 Å2
Polarizability: 36.1±0.5 10-24cm3
Surface Tension: 38.1±3.0 dyne/cm
Molar Volume: 296.8±3.0 cm3

Click to predict properties on the Chemicalize site


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