ChemSpider 2D Image | (2R,4aS)-4-[2-(3-Furyl)ethyl]-2-({(2R,4aS)-4-[2-(3-furyl)ethyl]-4-hydroxy-3,4a,8,8-tetramethyl-1-oxodecahydro-2-naphthalenyl}oxy)-3,4a,8,8-tetramethyl-4a,5,6,7,8,8a-hexahydro-1(2H)-naphthalenone | C40H56O6

(2R,4aS)-4-[2-(3-Furyl)ethyl]-2-({(2R,4aS)-4-[2-(3-furyl)ethyl]-4-hydroxy-3,4a,8,8-tetramethyl-1-oxodecahydro-2-naphthalenyl}oxy)-3,4a,8,8-tetramethyl-4a,5,6,7,8,8a-hexahydro-1(2H)-naphthalenone

  • Molecular FormulaC40H56O6
  • Average mass632.869 Da
  • Monoisotopic mass632.407715 Da
  • ChemSpider ID4573037

  • defined stereocentres - 4 of 8 defined stereocentres

More details:

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

(2R,4aS)-4-[2-(3-Furyl)éthyl]-2-({(2R,4aS)-4-[2-(3-furyl)éthyl]-4-hydroxy-3,4a,8,8-tétraméthyl-1-oxodécahydro-2-naphtalényl}oxy)-3,4a,8,8-tétraméthyl-4a,5,6,7,8,8a-hexahydro-1(2H)-naphtalénone [French] [ACD/IUPAC Name]
(2R,4aS)-4-[2-(3-Furyl)ethyl]-2-({(2R,4aS)-4-[2-(3-furyl)ethyl]-4-hydroxy-3,4a,8,8-tetramethyl-1-oxodecahydro-2-naphthalenyl}oxy)-3,4a,8,8-tetramethyl-4a,5,6,7,8,8a-hexahydro-1(2H)-naphthalenone [ACD/IUPAC Name]
(2R,4aS)-4-[2-(3-Furyl)ethyl]-2-({(2R,4aS)-4-[2-(3-furyl)ethyl]-4-hydroxy-3,4a,8,8-tetramethyl-1-oxodecahydro-2-naphthalinyl}oxy)-3,4a,8,8-tetramethyl-4a,5,6,7,8,8a-hexahydro-1(2H)-naphthalinon [German] [ACD/IUPAC Name]
1(2H)-Naphthalenone, 4-[2-(3-furanyl)ethyl]-2-[[(2R,4aS)-4-[2-(3-furanyl)ethyl]-1,2,4a,5,6,7,8,8a-octahydro-3,4a,8,8-tetramethyl-1-oxo-2-naphthalenyl]oxy]octahydro-4-hydroxy-3,4a,8,8-tetramethyl-, (2R ,4aS)- [ACD/Index Name]
1(2H)-NAPHTHALENONE,4-[2-(3-FURANYL)ETHYL]-2-[[(2S,4AS,8AS)-4-[2-(3-FURANYL)ETHYL]-1,2,4A,5,6,7,8,8A-OCTAHYDRO-3,4A,8,8-TETRAMETHYL-1-OXO-2-NAPHTHALENYL]OXY]OCTAHYDRO-4-HYDROXY-3,4A,8,8-TETRAMETHYL-,(2R,3R,4R,4AS,8AS)-
170894-20-9 [RN]
Persianone

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

NSC649283 [DBID]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 691.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 106.4±3.0 kJ/mol
Flash Point: 371.7±31.5 °C
Index of Refraction: 1.562
Molar Refractivity: 179.3±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 10.02
ACD/LogD (pH 5.5): 9.40
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 3078434.25
ACD/LogD (pH 7.4): 9.40
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 3078434.25
Polar Surface Area: 90 Å2
Polarizability: 71.1±0.5 10-24cm3
Surface Tension: 47.5±5.0 dyne/cm
Molar Volume: 552.8±5.0 cm3

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