ChemSpider 2D Image | (9beta,11alpha,22R)-22-Hydroxy-4,4,14-trimethyl-9,11-epoxy-9,19-cyclo-9,10-secoergosta-2,5(10),25-trien-1-one | C31H46O3

(9β,11α,22R)-22-Hydroxy-4,4,14-trimethyl-9,11-epoxy-9,19-cyclo-9,10-secoergosta-2,5(10),25-trien-1-one

  • Molecular FormulaC31H46O3
  • Average mass466.695 Da
  • Monoisotopic mass466.344696 Da
  • ChemSpider ID29784941

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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(9β,11α,22R)-22-Hydroxy-4,4,14-trimethyl-9,11-epoxy-9,19-cyclo-9,10-secoergosta-2,5(10),25-trien-1-on [German] [ACD/IUPAC Name]
(9β,11α,22R)-22-Hydroxy-4,4,14-trimethyl-9,11-epoxy-9,19-cyclo-9,10-secoergosta-2,5(10),25-trien-1-one [ACD/IUPAC Name]
(9β,11α,22R)-22-Hydroxy-4,4,14-triméthyl-9,11-époxy-9,19-cyclo-9,10-sécoergosta-2,5(10),25-trién-1-one [French] [ACD/IUPAC Name]
4H-Benzo[4',5']cyclohept[1',2':4,5]indeno[5,6-b]oxiren-4-one, 1,5,6a,7,7a,8,9,10,10a,10b,11,12-dodecahydro-8-[(1S,2R,4S)-2-hydroxy-1,4,5-trimethyl-5-hexen-1-yl]-1,1,7a,10a-tetramethyl-, (5aS,6aR,7aR,8 R,10aS,10bS)- [ACD/Index Name]
balansinone

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

Density: 1.1±0.1 g/cm3
Boiling Point: 581.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.7 mmHg at 25°C
Enthalpy of Vaporization: 99.8±6.0 kJ/mol
Flash Point: 181.6±23.6 °C
Index of Refraction: 1.555
Molar Refractivity: 137.6±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 7.27
ACD/LogD (pH 5.5): 6.89
ACD/BCF (pH 5.5): 100920.68
ACD/KOC (pH 5.5): 132870.28
ACD/LogD (pH 7.4): 6.89
ACD/BCF (pH 7.4): 100920.68
ACD/KOC (pH 7.4): 132870.28
Polar Surface Area: 50 Å2
Polarizability: 54.5±0.5 10-24cm3
Surface Tension: 42.4±5.0 dyne/cm
Molar Volume: 428.4±5.0 cm3

Click to predict properties on the Chemicalize site


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