ChemSpider 2D Image | (3beta,22xi,23R)-14,15,16,17-Tetradehydroveratraman-3,23-diol | C27H39NO2

(3β,22ξ,23R)-14,15,16,17-Tetradehydroveratraman-3,23-diol

  • Molecular FormulaC27H39NO2
  • Average mass409.604 Da
  • Monoisotopic mass409.298065 Da
  • ChemSpider ID75588332
  • defined stereocentres - 7 of 8 defined stereocentres


More details:






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

(3β,22ξ,23R)-14,15,16,17-Tetradehydroveratraman-3,23-diol [ACD/IUPAC Name]
(3β,22ξ,23R)-14,15,16,17-Tétradéhydrovératraman-3,23-diol [French] [ACD/IUPAC Name]
(3β,22ξ,23R)-14,15,16,17-Tetradehydroveratrumaman-3,23-diol [German] [ACD/IUPAC Name]
3-Piperidinol, 5-methyl-2-[(1S)-1-[(3S,6aR,11aS,11bR)-2,3,4,6,6a,11,11a,11b-octahydro-3-hydroxy-10,11b-dimethyl-1H-benzo[a]fluoren-9-yl]ethyl]-, (3R,5S)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 565.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 89.3±3.0 kJ/mol
Flash Point: 86.2±20.7 °C
Index of Refraction: 1.601
Molar Refractivity: 122.1±0.4 cm3
#H bond acceptors: 3
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 4.90
ACD/LogD (pH 5.5): 2.20
ACD/BCF (pH 5.5): 5.21
ACD/KOC (pH 5.5): 15.54
ACD/LogD (pH 7.4): 3.26
ACD/BCF (pH 7.4): 58.91
ACD/KOC (pH 7.4): 175.62
Polar Surface Area: 52 Å2
Polarizability: 48.4±0.5 10-24cm3
Surface Tension: 50.6±5.0 dyne/cm
Molar Volume: 356.2±5.0 cm3

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