ChemSpider 2D Image | (3beta,5alpha,8alpha,17beta,23R)-3-Hydroxy-5,6-dihydro-17,23-epoxyveratraman-6-one | C27H41NO3

(3β,5α,8α,17β,23R)-3-Hydroxy-5,6-dihydro-17,23-epoxyveratraman-6-one

  • Molecular FormulaC27H41NO3
  • Average mass427.619 Da
  • Monoisotopic mass427.308655 Da
  • ChemSpider ID113611304

  • defined stereocentres - 11 of 11 defined stereocentres

More details:

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

(3β,5α,8α,17β,23R)-3-Hydroxy-5,6-dihydro-17,23-epoxyveratraman-6-one [ACD/IUPAC Name]
(3β,5α,8α,17β,23R)-3-Hydroxy-5,6-dihydro-17,23-époxyvératraman-6-one [French] [ACD/IUPAC Name]
(3β,5α,8α,17β,23R)-3-Hydroxy-5,6-dihydro-17,23-epoxyveratrumaman-6-on [German] [ACD/IUPAC Name]
Spiro[9H-benzo[a]fluorene-9,2'(3'H)-furo[3,2-b]pyridin]-5(6H)-one, 1,2,3,3'a,4,4',4a,5',6',6a,6b,7,7',7'a,8,11,11a,11b-octadecahydro-3-hydroxy-3',6',10,11b-tetramethyl-, (3S,3'R,3a'R,4aS,6'S,6aS,6bS,7 a'R,9S,11aS,11bR)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 573.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.6 mmHg at 25°C
Enthalpy of Vaporization: 98.6±6.0 kJ/mol
Flash Point: 300.3±30.1 °C
Index of Refraction: 1.578
Molar Refractivity: 121.1±0.4 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 3.70
ACD/LogD (pH 5.5): 0.94
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.12
ACD/LogD (pH 7.4): 1.85
ACD/BCF (pH 7.4): 4.58
ACD/KOC (pH 7.4): 25.38
Polar Surface Area: 59 Å2
Polarizability: 48.0±0.5 10-24cm3
Surface Tension: 47.7±5.0 dyne/cm
Molar Volume: 365.2±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement