ChemSpider 2D Image | (1aR,3R,3aR,4R,5R,5aR,5bR,8aS,10aR,12aR,12bR)-3-(3-Furyl)-3a,10,10,12a-tetramethyl-7,12-dioxohexadecahydrocyclopenta[b]oxireno[1',5']cyclopenta[1',2':5,6]naphtho[1,2-c]furan-4,5-diyl diacetate | C30H36O9

(1aR,3R,3aR,4R,5R,5aR,5bR,8aS,10aR,12aR,12bR)-3-(3-Furyl)-3a,10,10,12a-tetramethyl-7,12-dioxohexadecahydrocyclopenta[b]oxireno[1',5']cyclopenta[1',2':5,6]naphtho[1,2-c]furan-4,5-diyl diacetate

  • Molecular FormulaC30H36O9
  • Average mass540.601 Da
  • Monoisotopic mass540.235962 Da
  • ChemSpider ID31145184
  • defined stereocentres - 11 of 11 defined stereocentres


More details:






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

(1aR,3R,3aR,4R,5R,5aR,5bR,8aS,10aR,12aR,12bR)-3-(3-Furyl)-3a,10,10,12a-tetramethyl-7,12-dioxohexadecahydrocyclopenta[b]oxireno[1',5']cyclopenta[1',2':5,6]naphtho[1,2-c]furan-4,5-diyl diacetate [ACD/IUPAC Name]
(1aR,3R,3aR,4R,5R,5aR,5bR,8aS,10aR,12aR,12bR)-3-(3-Furyl)-3a,10,10,12a-tetramethyl-7,12-dioxohexadecahydrocyclopenta[b]oxireno[1',5']cyclopenta[1',2':5,6]naphtho[1,2-c]furan-4,5-diyl-diacetat [German] [ACD/IUPAC Name]
Cyclopent[b]oxireno[1',5']cyclopenta[1',2':5,6]naphtho[1,2-c]furan-7,12(6H,10H)-dione, 4,5-bis(acetyloxy)-3-(3-furanyl)dodecahydro-3a,10,10,12a-tetramethyl-, (1aR,3R,3aR,4R,5R,5aR,5bR,8aS,10aR,12aR,12 bR)- [ACD/Index Name]
Diacétate de (1aR,3R,3aR,4R,5R,5aR,5bR,8aS,10aR,12aR,12bR)-3-(3-furyl)-3a,10,10,12a-tétraméthyl-7,12-dioxohexadécahydrocyclopenta[b]oxiréno[1',5']cyclopenta[1',2':5,6]naphto[1,2-c]furane-4,5-diyle [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 636.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 94.0±3.0 kJ/mol
Flash Point: 338.7±31.5 °C
Index of Refraction: 1.587
Molar Refractivity: 134.7±0.4 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 2.49
ACD/LogD (pH 5.5): 2.79
ACD/BCF (pH 5.5): 77.28
ACD/KOC (pH 5.5): 781.82
ACD/LogD (pH 7.4): 2.79
ACD/BCF (pH 7.4): 77.28
ACD/KOC (pH 7.4): 781.82
Polar Surface Area: 122 Å2
Polarizability: 53.4±0.5 10-24cm3
Surface Tension: 55.4±5.0 dyne/cm
Molar Volume: 400.6±5.0 cm3

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