ChemSpider 2D Image | (3S,4aR,6R,6aS,6bR,7aS,10S,10aS,12aR,12bS)-10-(3-Furyl)-3-hydroxy-4,4,6a,10a,12b-pentamethyl-8-oxohexadecahydronaphtho[2,1-f]oxireno[d]isochromen-6-yl acetate | C28H38O7

(3S,4aR,6R,6aS,6bR,7aS,10S,10aS,12aR,12bS)-10-(3-Furyl)-3-hydroxy-4,4,6a,10a,12b-pentamethyl-8-oxohexadecahydronaphtho[2,1-f]oxireno[d]isochromen-6-yl acetate

  • Molecular FormulaC28H38O7
  • Average mass486.597 Da
  • Monoisotopic mass486.261749 Da
  • ChemSpider ID23339403

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(1S,3aS,4aR,4bS,5R,6aR,8S,10aS,10bR,12aS)-1-(Furan-3-yl)-8-hydroxy-4b,7,7,10a,12a-pentamethyl-3-oxohexadecahydronaphtho[2,1-f]oxireno[2,3-d]isochromen-5-yl acetate
(1S,3aS,4aR,4bS,5R,6aR,8S,10aS,10bR,12aS)-5-(Acetyloxy)-1-(3-furanyl)tetradecahydro-8-hydroxy-4b,7,7,10a,12a-pentamethyloxireno[c]phenanthro[1,2-d]pyran-3(3aH)-one
(3S,4aR,6R,6aS,6bR,7aS,10S,10aS,12aR,12bS)-10-(3-Furyl)-3-hydroxy-4,4,6a,10a,12b-pentamethyl-8-oxohexadecahydronaphtho[2,1-f]oxireno[d]isochromen-6-yl acetate [ACD/IUPAC Name]
(3S,4aR,6R,6aS,6bR,7aS,10S,10aS,12aR,12bS)-10-(3-Furyl)-3-hydroxy-4,4,6a,10a,12b-pentamethyl-8-oxohexadecahydronaphtho[2,1-f]oxireno[d]isochromen-6-yl-acetat [German] [ACD/IUPAC Name]
10314-89-3 [RN]
Acétate de (3S,4aR,6R,6aS,6bR,7aS,10S,10aS,12aR,12bS)-10-(3-furyl)-3-hydroxy-4,4,6a,10a,12b-pentaméthyl-8-oxohexadécahydronaphto[2,1-f]oxiréno[d]isochromén-6-yle [French] [ACD/IUPAC Name]
Oxireno[c]phenanthro[1,2-d]pyran-8(7aH)-one, 6-(acetyloxy)-10-(3-furanyl)tetradecahydro-3-hydroxy-4,4,6a,10a,12b-pentamethyl-, (3S,4aR,6R,6aS,6bR,7aS,10S,10aS,12aR,12bS)- [ACD/Index Name]
(3S,4aR,6R,6aS,6bR,7aS,10R,10aS,12aR,12bS)-10-(furan-3-yl)-3-hydroxy-4,4,6a,10a,12b-pentamethyl-8-oxohexadecahydronaphtho[2,1-f]oxireno[d]isochromen-6-yl acetate
1,2-dihydro-3β-gedunol
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL464958/

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

Density: 1.3±0.1 g/cm3
Boiling Point: 588.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 92.4±3.0 kJ/mol
Flash Point: 309.9±30.1 °C
Index of Refraction: 1.575
Molar Refractivity: 127.1±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.94
ACD/LogD (pH 5.5): 4.01
ACD/BCF (pH 5.5): 658.76
ACD/KOC (pH 5.5): 3624.47
ACD/LogD (pH 7.4): 4.01
ACD/BCF (pH 7.4): 658.76
ACD/KOC (pH 7.4): 3624.47
Polar Surface Area: 99 Å2
Polarizability: 50.4±0.5 10-24cm3
Surface Tension: 51.7±5.0 dyne/cm
Molar Volume: 384.3±5.0 cm3

Click to predict properties on the Chemicalize site


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