ChemSpider 2D Image | Pseudojervine | C33H49NO8

Pseudojervine

  • Molecular FormulaC33H49NO8
  • Average mass587.744 Da
  • Monoisotopic mass587.345825 Da
  • ChemSpider ID16735984

  • defined stereocentres - 15 of 15 defined stereocentres

More details:

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

(3β,17β,23S)-11-Oxo-17,23-epoxyveratraman-3-yl β-D-glucopyranoside [ACD/IUPAC Name]
(3β,17β,23S)-11-Oxo-17,23-epoxyveratrumaman-3-yl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
36069-05-3 [RN]
Pseudojervine
Spiro[9H-benzo[a]fluorene-9,2'(3'H)-furo[3,2-b]pyridin]-11(1H)-one, 3-(β-D-glucopyranosyloxy)-2,3,3'a,4,4',5',6,6',6a,6b,7,7',7'a,8,11a,11b-hexadecahydro-3',6',10,11b-tetramethyl-, (3S,3'R,3a'R,6'S ,6aS,6bS,7a'S,9S,11aS,11bR)- [ACD/Index Name]
β-D-Glucopyranoside de (3β,17β,23S)-11-oxo-17,23-époxyvératraman-3-yle [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 766.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.9 mmHg at 25°C
Enthalpy of Vaporization: 127.2±6.0 kJ/mol
Flash Point: 417.2±32.9 °C
Index of Refraction: 1.616
Molar Refractivity: 154.6±0.4 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 2
ACD/LogP: 1.51
ACD/LogD (pH 5.5): -1.00
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.69
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 138 Å2
Polarizability: 61.3±0.5 10-24cm3
Surface Tension: 61.5±5.0 dyne/cm
Molar Volume: 442.1±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement