ChemSpider 2D Image | (15E)-12-Hydroxy-13,19-didehydrosenecionan-11,16-dione | C18H23NO5

(15E)-12-Hydroxy-13,19-didehydrosenecionan-11,16-dione

  • Molecular FormulaC18H23NO5
  • Average mass333.379 Da
  • Monoisotopic mass333.157623 Da
  • ChemSpider ID21511627

  • Double-bond stereo - Double-bond stereo

More details:

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

(15E)-12-Hydroxy-13,19-didehydrosenecionan-11,16-dion [German] [ACD/IUPAC Name]
(15E)-12-Hydroxy-13,19-didehydrosenecionan-11,16-dione [ACD/IUPAC Name]
(15E)-12-Hydroxy-13,19-didéhydrosénécionan-11,16-dione [French] [ACD/IUPAC Name]
[1,6]Dioxacyclododecino[2,3,4-gh]pyrrolizine-2,7-dione, 3-ethylidene-3,4,5,6,9,11,13,14,14a,14b-decahydro-6-hydroxy-6-methyl-5-methylene-, (3E)- [ACD/Index Name]
(15cis)-12-Hydroxy-13,19-didehydrosenecionan-11,16-dione
480-81-9 [RN]
Jacodine
Pyrrolizine-2,7-dione, 3-ethylidene-3,4,5,6,9,11,13,14,14a,14b-decahydro-6-hydroxy-6-methyl-5-methylene(1,6)dioxacyclododecino(2,3,4-gh)-
Senecionan-11,16-dione, 13,19-didehydro-12-hydroxy-
Seneciphyllin
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

NSC 30622 [DBID]
  • Gas Chromatography

    • Retention Index (Kovats):

      2818 (estimated with error: 89) NIST Spectra mainlib_290539, replib_103693
      2327 (Program type: Ramp; Column cl... (show more) ass: Standard non-polar; Column diameter: 0.25 mm; Column length: 30 m; Column type: Capillary; Heat rate: 6 K/min; Start T: 120 C; End T: 300 C; End time: 10 min; Start time: 3 min; CAS no: 480819; Active phase: OV-1; Carrier gas: He; Phase thickness: 0.25 um; Data type: Kovats RI; Authors: El-Shazly, A., Pyrrolizidine alkaloid profiles of some Senecio species from Egypt, Z. Naturforsch. C:, 57, 2002, 429-433.) NIST Spectra nist ri

    • Retention Index (Normal Alkane):

      2320 (Program type: Ramp; Column cl... (show more) ass: Standard non-polar; Column diameter: 0.25 mm; Column length: 30 m; Column type: Capillary; Heat rate: 6 K/min; Start T: 100 C; End T: 300 C; CAS no: 480819; Active phase: OV-1; Carrier gas: Helium; Phase thickness: 0.25 um; Data type: Normal alkane RI; Authors: Asres, K.; Sporer, F.; Wink, M., Occurence of pyrrolizidine alkaloids in three Ethiopian Solanecio species, Biochem. Systematics and Ecology, 36, 2008, 399-407.) NIST Spectra nist ri

    • Retention Index (Linear):

      2303 (Program type: Ramp; Column cl... (show more) ass: Standard non-polar; Column diameter: 0.32 mm; Column length: 30 m; Column type: Capillary; Heat rate: 6 K/min; Start T: 150 C; End T: 300 C; CAS no: 480819; Active phase: DB-1; Carrier gas: He; Data type: Linear RI; Authors: Witte, L.; Rubiolo, P.; Bicchi, C.; Hartmann, T., Comparative analysis of pyrrolizidine alkaloids from natural sources by gas chromatography-mass spectrometry, Phytochemistry, 32(1), 1992, 187-196.) NIST Spectra nist ri
      2306 (Program type: Ramp; Column cl... (show more) ass: Standard non-polar; Column diameter: 0.25 mm; Column length: 25 m; Column type: Capillary; Heat rate: 6 K/min; Start T: 150 C; End T: 300 C; CAS no: 480819; Active phase: OV-1; Carrier gas: H2; Phase thickness: 0.5 um; Data type: Linear RI; Authors: Witte, L.; Rubiolo, P.; Bicchi, C.; Hartmann, T., Comparative analysis of pyrrolizidine alkaloids from natural sources by gas chromatography-mass spectrometry, Phytochemistry, 32(1), 1992, 187-196.) NIST Spectra nist ri

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

Density: 1.3±0.1 g/cm3
Boiling Point: 577.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.6 mmHg at 25°C
Enthalpy of Vaporization: 99.3±6.0 kJ/mol
Flash Point: 303.2±30.1 °C
Index of Refraction: 1.581
Molar Refractivity: 87.3±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 0.81
ACD/LogD (pH 5.5): 1.11
ACD/BCF (pH 5.5): 3.00
ACD/KOC (pH 5.5): 53.18
ACD/LogD (pH 7.4): 1.65
ACD/BCF (pH 7.4): 10.42
ACD/KOC (pH 7.4): 184.57
Polar Surface Area: 76 Å2
Polarizability: 34.6±0.5 10-24cm3
Surface Tension: 51.9±5.0 dyne/cm
Molar Volume: 261.7±5.0 cm3

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