Found 1 result

Search term: 11-oxocucurbitadienol (Found by synonym)
ChemSpider 2D Image | (1S,4R,9beta)-1-Hydroxy-9,10,14-trimethyl-4,9-cyclo-9,10-secocholesta-5,24-dien-11-one | C30H48O2

(1S,4R,9β)-1-Hydroxy-9,10,14-trimethyl-4,9-cyclo-9,10-secocholesta-5,24-dien-11-one

  • Molecular FormulaC30H48O2
  • Average mass440.701 Da
  • Monoisotopic mass440.365417 Da
  • ChemSpider ID64808367

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(1S,4R,9β)-1-Hydroxy-9,10,14-trimethyl-4,9-cyclo-9,10-secocholesta-5,24-dien-11-on [German] [ACD/IUPAC Name]
(1S,4R,9β)-1-Hydroxy-9,10,14-trimethyl-4,9-cyclo-9,10-secocholesta-5,24-dien-11-one [ACD/IUPAC Name]
(1S,4R,9β)-1-Hydroxy-9,10,14-triméthyl-4,9-cyclo-9,10-sécocholesta-5,24-dién-11-one [French] [ACD/IUPAC Name]
Estr-5-en-11-one, 17-[(1R)-1,5-dimethyl-4-hexen-1-yl]-3-hydroxy-4,4,9,14-tetramethyl-, (3β,9β,10α,17β)- [ACD/Index Name]
(1S,4R)-1-hydroxy-99β,10,14-trimethyl-4,9-cyclo-9,10-secocholesta-5,24-dien-11-one
11-oxocucurbitadienol
3β-hydroxy-10α-cucurbit-5,24-dien-11-one

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

Density: 1.0±0.1 g/cm3
Boiling Point: 528.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 92.4±6.0 kJ/mol
Flash Point: 222.9±22.7 °C
Index of Refraction: 1.535
Molar Refractivity: 133.7±0.4 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 8.60
ACD/LogD (pH 5.5): 7.93
ACD/BCF (pH 5.5): 629096.81
ACD/KOC (pH 5.5): 492370.72
ACD/LogD (pH 7.4): 7.93
ACD/BCF (pH 7.4): 629096.81
ACD/KOC (pH 7.4): 492370.72
Polar Surface Area: 37 Å2
Polarizability: 53.0±0.5 10-24cm3
Surface Tension: 39.8±5.0 dyne/cm
Molar Volume: 429.4±5.0 cm3

Click to predict properties on the Chemicalize site


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