ChemSpider 2D Image | (22R)-22-Hydroxy-10,14-dimethyl-4,9-cyclo-9,10-secoergosta-8,24(28)-dien-1-one | C30H48O2

(22R)-22-Hydroxy-10,14-dimethyl-4,9-cyclo-9,10-secoergosta-8,24(28)-dien-1-one

  • Molecular FormulaC30H48O2
  • Average mass440.701 Da
  • Monoisotopic mass440.365417 Da
  • ChemSpider ID28286196

  • defined stereocentres - 5 of 7 defined stereocentres

More details:

Featured data source
Natural Product Updates

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

(22R)-22-Hydroxy-10,14-dimethyl-4,9-cyclo-9,10-secoergosta-8,24(28)-dien-1-on [German] [ACD/IUPAC Name]
(22R)-22-Hydroxy-10,14-dimethyl-4,9-cyclo-9,10-secoergosta-8,24(28)-dien-1-one [ACD/IUPAC Name]
(22R)-22-Hydroxy-10,14-diméthyl-4,9-cyclo-9,10-sécoergosta-8,24(28)-dién-1-one [French] [ACD/IUPAC Name]
Estr-8-en-3-one, 17-[(1S,2R)-2-hydroxy-1,5-dimethyl-4-methylenehexyl]-4,4,14-trimethyl-, (10ξ,17β)- [ACD/Index Name]
gilvsin A

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

Density: 1.0±0.1 g/cm3
Boiling Point: 536.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 93.5±6.0 kJ/mol
Flash Point: 226.0±22.7 °C
Index of Refraction: 1.530
Molar Refractivity: 133.3±0.4 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 8.47
ACD/LogD (pH 5.5): 7.79
ACD/BCF (pH 5.5): 488539.31
ACD/KOC (pH 5.5): 410852.66
ACD/LogD (pH 7.4): 7.79
ACD/BCF (pH 7.4): 488539.31
ACD/KOC (pH 7.4): 410852.66
Polar Surface Area: 37 Å2
Polarizability: 52.9±0.5 10-24cm3
Surface Tension: 39.0±5.0 dyne/cm
Molar Volume: 431.4±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement