ChemSpider 2D Image | (1aR,3R,3aR,4R,4aR,9R,9aR,10aS)-9-[(3R)-2,2-Dimethyl-5-oxotetrahydro-3-furanyl]-3-(2-hydroxy-5-oxo-2,5-dihydro-3-furanyl)-3a,9-dimethyl-10-methylene-6-oxo-1a,2,3,3a,4,4a,6,9,9a,10-decahydrooxireno[1,7 a]indeno[5,6-b]oxepin-4-yl acetate | C28H32O10

(1aR,3R,3aR,4R,4aR,9R,9aR,10aS)-9-[(3R)-2,2-Dimethyl-5-oxotetrahydro-3-furanyl]-3-(2-hydroxy-5-oxo-2,5-dihydro-3-furanyl)-3a,9-dimethyl-10-methylene-6-oxo-1a,2,3,3a,4,4a,6,9,9a,10-decahydrooxireno[1,7 a]indeno[5,6-b]oxepin-4-yl acetate

  • Molecular FormulaC28H32O10
  • Average mass528.548 Da
  • Monoisotopic mass528.199524 Da
  • ChemSpider ID9310308

  • defined stereocentres - 9 of 10 defined stereocentres

More details:

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

(1aR,3R,3aR,4R,4aR,9R,9aR,10aS)-9-[(3R)-2,2-Dimethyl-5-oxotetrahydro-3-furanyl]-3-(2-hydroxy-5-oxo-2,5-dihydro-3-furanyl)-3a,9-dimethyl-10-methylen-6-oxo-1a,2,3,3a,4,4a,6,9,9a,10-decahydrooxireno[1,7a ]indeno[5,6-b]oxepin-4-yl-acetat [German] [ACD/IUPAC Name]
(1aR,3R,3aR,4R,4aR,9R,9aR,10aS)-9-[(3R)-2,2-Dimethyl-5-oxotetrahydro-3-furanyl]-3-(2-hydroxy-5-oxo-2,5-dihydro-3-furanyl)-3a,9-dimethyl-10-methylene-6-oxo-1a,2,3,3a,4,4a,6,9,9a,10-decahydrooxireno[1,7 a]indeno[5,6-b]oxepin-4-yl acetate [ACD/IUPAC Name]
Acétate de (1aR,3R,3aR,4R,4aR,9R,9aR,10aS)-9-[(3R)-2,2-diméthyl-5-oxotétrahydro-3-furanyl]-3-(2-hydroxy-5-oxo-2,5-dihydro-3-furanyl)-3a,9-diméthyl-10-méthylène-6-oxo-1a,2,3,3a,4,4a,6,9,9a,10-décahydro oxiréno[1,7a]indéno[5,6-b]oxépin-4-yle [French] [ACD/IUPAC Name]
Oxireno[1,7a]indeno[5,6-b]oxepin-6(9H)-one, 4-(acetyloxy)-3-(2,5-dihydro-2-hydroxy-5-oxo-3-furanyl)-1a,2,3,3a,4,4a,9a,10-octahydro-3a,9-dimethyl-10-methylene-9-[(3R)-tetrahydro-2,2-dimethyl-5-oxo-3-fu ranyl]-, (1aR,3R,3aR,4R,4aR,9R,9aR,10aS)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 763.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.9 mmHg at 25°C
Enthalpy of Vaporization: 126.7±6.0 kJ/mol
Flash Point: 255.0±26.4 °C
Index of Refraction: 1.602
Molar Refractivity: 129.2±0.4 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: -1.16
ACD/LogD (pH 5.5): -0.01
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 23.48
ACD/LogD (pH 7.4): -0.01
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 23.40
Polar Surface Area: 138 Å2
Polarizability: 51.2±0.5 10-24cm3
Surface Tension: 58.8±5.0 dyne/cm
Molar Volume: 376.3±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement