ChemSpider 2D Image | (1S,3aS,4aR,4bS,5R,6aR,8aR,9aR,9bR,9cR,11aS)-1-(3-Furyl)-4b,7,7,9b,11a-pentamethyl-3,8-dioxohexadecahydrooxireno[d]oxireno[7,8]naphtho[2,1-f]isochromen-5-yl acetate | C28H34O8

(1S,3aS,4aR,4bS,5R,6aR,8aR,9aR,9bR,9cR,11aS)-1-(3-Furyl)-4b,7,7,9b,11a-pentamethyl-3,8-dioxohexadecahydrooxireno[d]oxireno[7,8]naphtho[2,1-f]isochromen-5-yl acetate

  • Molecular FormulaC28H34O8
  • Average mass498.565 Da
  • Monoisotopic mass498.225372 Da
  • ChemSpider ID23339402

  • defined stereocentres - 11 of 11 defined stereocentres

More details:

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

(1S,3aS,4aR,4bS,5R,6aR,8aR,9aR,9bR,9cR,11aS)-1-(3-Furyl)-4b,7,7,9b,11a-pentamethyl-3,8-dioxohexadecahydrooxireno[d]oxireno[7,8]naphtho[2,1-f]isochromen-5-yl acetate [ACD/IUPAC Name]
(1S,3aS,4aR,4bS,5R,6aR,8aR,9aR,9bR,9cR,11aS)-1-(3-Furyl)-4b,7,7,9b,11a-pentamethyl-3,8-dioxohexadecahydrooxireno[d]oxireno[7,8]naphtho[2,1-f]isochromen-5-yl-acetat [German] [ACD/IUPAC Name]
Acétate de (1S,3aS,4aR,4bS,5R,6aR,8aR,9aR,9bR,9cR,11aS)-1-(3-furyl)-4b,7,7,9b,11a-pentaméthyl-3,8-dioxohexadécahydrooxiréno[d]oxiréno[7,8]naphto[2,1-f]isochromén-5-yle [French] [ACD/IUPAC Name]
Oxireno[c]oxireno[5,6]phenanthro[1,2-d]pyran-3,8(3aH,4bH)-dione, 5-(acetyloxy)-1-(3-furanyl)dodecahydro-4b,7,7,9b,11a-pentamethyl-, (1S,3aS,4aR,4bS,5R,6aR,8aR,9aR,9bR,9cR,11aS)- [ACD/Index Name]
(1R,3aS,4aR,4bS,5R,6aR,8aR,9aR,9bR,9cR,11aS)-1-(furan-3-yl)-4b,7,7,9b,11a-pentamethyl-3,8-dioxohexadecahydrooxireno[d]oxireno[7,8]naphtho[2,1-f]isochromen-5-yl acetate
1,2-epoxygedunin
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL504580/

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

Density: 1.3±0.1 g/cm3
Boiling Point: 610.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 90.7±3.0 kJ/mol
Flash Point: 323.0±31.5 °C
Index of Refraction: 1.589
Molar Refractivity: 125.3±0.4 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.05
ACD/LogD (pH 5.5): 2.40
ACD/BCF (pH 5.5): 39.41
ACD/KOC (pH 5.5): 482.79
ACD/LogD (pH 7.4): 2.40
ACD/BCF (pH 7.4): 39.41
ACD/KOC (pH 7.4): 482.79
Polar Surface Area: 108 Å2
Polarizability: 49.7±0.5 10-24cm3
Surface Tension: 54.0±5.0 dyne/cm
Molar Volume: 371.7±5.0 cm3

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