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Search term: 110417470 (Found by CSID)
ChemSpider 2D Image | asperfloketal A | C28H38O6

asperfloketal A

  • Molecular FormulaC28H38O6
  • Average mass470.598 Da
  • Monoisotopic mass470.266846 Da
  • ChemSpider ID110417470

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(1S,7S,12R,13R,17R,18S,19R,20R,22S)-7,12-Dihydroxy-10,18,22-trimethyl-20-[(2R)-3-methyl-2-butanyl]-14,21,23-trioxahexacyclo[11.8.1.11,19.02,11.04,9.017,22]tricosa-2(11),3,9-trien-15-on [German] [ACD/IUPAC Name]
(1S,7S,12R,13R,17R,18S,19R,20R,22S)-7,12-Dihydroxy-10,18,22-trimethyl-20-[(2R)-3-methyl-2-butanyl]-14,21,23-trioxahexacyclo[11.8.1.11,19.02,11.04,9.017,22]tricosa-2(11),3,9-trien-15-one [ACD/IUPAC Name]
(1S,7S,12R,13R,17R,18S,19R,20R,22S)-7,12-Dihydroxy-10,18,22-triméthyl-20-[(2R)-3-méthyl-2-butanyl]-14,21,23-trioxahexacyclo[11.8.1.11,19.02,11.04,9.017,22]tricosa-2(11),3,9-trién-15-one [French] [ACD/IUPAC Name]
2H-3,14b-Epoxynaphtho[2,3-i]pyrano[4,3,2-ef]-1-benzoxepin-6(5H)-one, 2-[(1R)-1,2-dimethylpropyl]-3,4,4a,7a,8,10,11,12,13,14c-decahydro-8,11-dihydroxy-4,9,14c-trimethyl-, (2R,3R,4S,4aR,7aR,8R,11S,14bS, 14cS)- [ACD/Index Name]
asperfloketal A

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

Density: 1.3±0.1 g/cm3
Boiling Point: 656.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 101.5±3.0 kJ/mol
Flash Point: 217.4±25.0 °C
Index of Refraction: 1.602
Molar Refractivity: 126.6±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 5.02
ACD/LogD (pH 5.5): 4.88
ACD/BCF (pH 5.5): 3002.20
ACD/KOC (pH 5.5): 10733.61
ACD/LogD (pH 7.4): 4.88
ACD/BCF (pH 7.4): 3002.19
ACD/KOC (pH 7.4): 10733.60
Polar Surface Area: 85 Å2
Polarizability: 50.2±0.5 10-24cm3
Surface Tension: 55.1±5.0 dyne/cm
Molar Volume: 368.9±5.0 cm3

Click to predict properties on the Chemicalize site


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