ChemSpider 2D Image | (1aR,3S,5aR,5bS,7aR,8R,10aS,10bS,10cS)-5a,7a-Dimethyl-8-[(2R)-6-methyl-2-heptanyl]tetradecahydro-2H-cyclopenta[1,2]fluoreno[8a,9-b]oxiren-3-yl acetate | C28H46O3

(1aR,3S,5aR,5bS,7aR,8R,10aS,10bS,10cS)-5a,7a-Dimethyl-8-[(2R)-6-methyl-2-heptanyl]tetradecahydro-2H-cyclopenta[1,2]fluoreno[8a,9-b]oxiren-3-yl acetate

  • Molecular FormulaC28H46O3
  • Average mass430.663 Da
  • Monoisotopic mass430.344696 Da
  • ChemSpider ID30657336

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(1aR,3S,5aR,5bS,7aR,8R,10aS,10bS,10cS)-5a,7a-Dimethyl-8-[(2R)-6-methyl-2-heptanyl]tetradecahydro-2H-cyclopenta[1,2]fluoreno[8a,9-b]oxiren-3-yl acetate [ACD/IUPAC Name]
(1aR,3S,5aR,5bS,7aR,8R,10aS,10bS,10cS)-5a,7a-Dimethyl-8-[(2R)-6-methyl-2-heptanyl]tetradecahydro-2H-cyclopenta[1,2]fluoreno[8a,9-b]oxiren-3-yl-acetat [German] [ACD/IUPAC Name]
2H-Cyclopenta[1,2]fluoreno[8a,9-b]oxiren-3-ol, 8-[(1R)-1,5-dimethylhexyl]tetradecahydro-5a,7a-dimethyl-, acetate, (1aR,3S,5aR,5bS,7aR,8R,10aS,10bS,10cS)- [ACD/Index Name]
Acétate de (1aR,3S,5aR,5bS,7aR,8R,10aS,10bS,10cS)-5a,7a-diméthyl-8-[(2R)-6-méthyl-2-heptanyl]tétradécahydro-2H-cyclopenta[1,2]fluoréno[8a,9-b]oxirén-3-yle [French] [ACD/IUPAC 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: 492.8±28.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 76.0±3.0 kJ/mol
Flash Point: 213.0±18.6 °C
Index of Refraction: 1.524
Molar Refractivity: 124.9±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 8.17
ACD/LogD (pH 5.5): 7.46
ACD/BCF (pH 5.5): 277290.19
ACD/KOC (pH 5.5): 273921.94
ACD/LogD (pH 7.4): 7.46
ACD/BCF (pH 7.4): 277290.19
ACD/KOC (pH 7.4): 273921.94
Polar Surface Area: 39 Å2
Polarizability: 49.5±0.5 10-24cm3
Surface Tension: 39.4±5.0 dyne/cm
Molar Volume: 408.2±5.0 cm3

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