ChemSpider 2D Image | (1R,3bS,5aR,7aS,10aS,10bR,12R,12aR)-1-(3-Furyl)-7a-hydroxy-3b,6,6,12a-tetramethyl-4,8-dioxo-2,3b,4,5,5a,6,7a,8,9,10,10b,11,12,12a-tetradecahydro-1H-cyclopenta[b]cyclopenta[5,6]naphtho[1,2-c]furan-11,1 2-diyl diacetate | C30H36O9

(1R,3bS,5aR,7aS,10aS,10bR,12R,12aR)-1-(3-Furyl)-7a-hydroxy-3b,6,6,12a-tetramethyl-4,8-dioxo-2,3b,4,5,5a,6,7a,8,9,10,10b,11,12,12a-tetradecahydro-1H-cyclopenta[b]cyclopenta[5,6]naphtho[1,2-c]furan-11,1 2-diyl diacetate

  • Molecular FormulaC30H36O9
  • Average mass540.601 Da
  • Monoisotopic mass540.235962 Da
  • ChemSpider ID31145700

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(1R,3bS,5aR,7aS,10aS,10bR,12R,12aR)-1-(3-Furyl)-7a-hydroxy-3b,6,6,12a-tetramethyl-4,8-dioxo-2,3b,4,5,5a,6,7a,8,9,10,10b,11,12,12a-tetradecahydro-1H-cyclopenta[b]cyclopenta[5,6]naphtho[1,2-c]furan-11,1 2-diyl diacetate [ACD/IUPAC Name]
(1R,3bS,5aR,7aS,10aS,10bR,12R,12aR)-1-(3-Furyl)-7a-hydroxy-3b,6,6,12a-tetramethyl-4,8-dioxo-2,3b,4,5,5a,6,7a,8,9,10,10b,11,12,12a-tetradecahydro-1H-cyclopenta[b]cyclopenta[5,6]naphtho[1,2-c]furan-11,1 2-diyl-diacetat [German] [ACD/IUPAC Name]
1H-Cyclopenta[b]cyclopenta[5,6]naphtho[1,2-c]furan-4,8(5H,7aH)-dione, 11,12-bis(acetyloxy)-1-(3-furanyl)-2,3b,5a,6,9,10,10b,11,12,12a-decahydro-7a-hydroxy-3b,6,6,12a-tetramethyl-, (1R,3bS,5aR,7aS,10aS ,10bR,12R,12aR)- [ACD/Index Name]
Diacétate de (1R,3bS,5aR,7aS,10aS,10bR,12R,12aR)-1-(3-furyl)-7a-hydroxy-3b,6,6,12a-tétraméthyl-4,8-dioxo-2,3b,4,5,5a,6,7a,8,9,10,10b,11,12,12a-tétradécahydro-1H-cyclopenta[b]cyclopenta[5,6]naphto[1,2- c]furane-11,12-diyle [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 637.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 99.0±3.0 kJ/mol
Flash Point: 339.6±31.5 °C
Index of Refraction: 1.592
Molar Refractivity: 136.3±0.4 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 3.39
ACD/LogD (pH 5.5): 3.46
ACD/BCF (pH 5.5): 250.88
ACD/KOC (pH 5.5): 1816.14
ACD/LogD (pH 7.4): 3.46
ACD/BCF (pH 7.4): 250.71
ACD/KOC (pH 7.4): 1814.85
Polar Surface Area: 129 Å2
Polarizability: 54.0±0.5 10-24cm3
Surface Tension: 57.2±5.0 dyne/cm
Molar Volume: 402.6±5.0 cm3

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