ChemSpider 2D Image | dankasterone A | C28H40O3

dankasterone A

  • Molecular FormulaC28H40O3
  • Average mass424.615 Da
  • Monoisotopic mass424.297760 Da
  • ChemSpider ID23076733

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 7 of 7 defined stereocentres

More details:

Featured data source
Natural Product Updates

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

(4aR,4bR,6aR,7R,10aR)-7-[(2R,3E,5R)-5,6-dimethylhept-3-en-2-yl]-4a,6a-dimethyl-3,4,4a,4b,5,6,6a,7,8,9-decahydroindeno[1,7a-a]naphthalene-2,10,12(11H)-trione
(4aR,6aR,7R,10aR)-7-[(2R,3E,5R)-5,6-Diméthyl-3-heptén-2-yl]-4a,6a-diméthyl-3,4,4a,4b,5,6,6a,7,8,9-décahydroindéno[1,7a-a]naphtalène-2,10,12(11H)-trione [French] [ACD/IUPAC Name]
(4aR,6aR,7R,10aR)-7-[(2R,3E,5R)-5,6-Dimethyl-3-hepten-2-yl]-4a,6a-dimethyl-3,4,4a,4b,5,6,6a,7,8,9-decahydroindeno[1,7a-a]naphthalene-2,10,12(11H)-trione [ACD/IUPAC Name]
(4aR,6aR,7R,10aR)-7-[(2R,3E,5R)-5,6-Dimethyl-3-hepten-2-yl]-4a,6a-dimethyl-3,4,4a,4b,5,6,6a,7,8,9-decahydroindeno[1,7a-a]naphthalin-2,10,12(11H)-trion [German] [ACD/IUPAC Name]
dankasterone A
Indeno[1,7a-a]naphthalene-2,10,12(11H)-trione, 3,4,4a,4b,5,6,6a,7,8,9-decahydro-4a,6a-dimethyl-7-[(1R,2E,4R)-1,4,5-trimethyl-2-hexen-1-yl]-, (4aR,6aR,7R,10aR)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 545.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 82.5±3.0 kJ/mol
Flash Point: 229.0±25.3 °C
Index of Refraction: 1.540
Molar Refractivity: 123.4±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 5.41
ACD/LogD (pH 5.5): 5.45
ACD/BCF (pH 5.5): 8091.28
ACD/KOC (pH 5.5): 21824.75
ACD/LogD (pH 7.4): 5.45
ACD/BCF (pH 7.4): 8091.28
ACD/KOC (pH 7.4): 21824.75
Polar Surface Area: 51 Å2
Polarizability: 48.9±0.5 10-24cm3
Surface Tension: 41.7±5.0 dyne/cm
Molar Volume: 393.3±5.0 cm3

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