ChemSpider 2D Image | Pseudojervine | C33H49NO8

Pseudojervine

  • Molecular FormulaC33H49NO8
  • Average mass587.744 Da
  • Monoisotopic mass587.345825 Da
  • ChemSpider ID16739509

  • defined stereocentres - 15 of 15 defined stereocentres

More details:

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

(3b,23b)-17,23-Epoxy-3-(b-D-glucopyranosyloxy)veratraman-11-one
(3β,22S,23R)-11-Oxo-17,23-epoxyveratraman-3-yl β-D-glucopyranoside [ACD/IUPAC Name]
(3β,22S,23R)-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'S,6'S ,6aS,6bS,7a'R,9R,11aS,11bR)- [ACD/Index Name]
β-D-Glucopyranoside de (3β,22S,23R)-11-oxo-17,23-époxyvératraman-3-yle [French] [ACD/IUPAC Name]
(3S,3'R,3'aS,6'S,6aS,6bS,7'aR,9R,11aS,11bR)-3',6',10,11b-tetramethyl-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyspiro[1,2,3,4,6,6a,6b,7,8,11a-decahydrobenzo[a]fluorene-9,2'-3a,4,5,6,7,7a-hexahydro-3H-furo[3,2-b]pyridine]-11-one

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

6ZVR3FG6VQ [DBID]
UNII:6ZVR3FG6VQ [DBID]
UNII-6ZVR3FG6VQ [DBID]

    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


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