Monocrotaline

• Formula: C₁₆H₂₃NO₆
• Molecular weight: 325.3569
• IUPAC Standard InChI: InChI=1S/C16H23NO6/c1-9-13(18)23-11-5-7-17-6-4-10(12(11)17)8-22-14(19)16(3,21)15(9,2)20/h4,9,11-12,20-21H,5-8H2,1-3H3 Copy

  
• IUPAC Standard InChIKey: QVCMHGGNRFRMAD-UHFFFAOYSA-N Copy
• CAS Registry Number: 315-22-0
• Chemical structure:
  This structure is also available as a 2d Mol file
• Other names: 20-Norcrotalanan-11,15-dione, 14,19-dihydro-12,13-dihydroxy-, (13α,14α)-; Monocrotalin; (2,3,4-gh)pyrrolizine-2,6(3H)-dione, (4,5,8,10,12,13,13a,13b)-octahydro-4,5-dihydroxy-3,4,5-trimethyl-2H-(1,6)dioxacycloundecino-; A 6080; NCI-C56462; NSC 28693; Retronecine cyclic 2,3-dihydroxy-2,3,4-trimethylglutarate; 12β,13β-Dihydroxy-12α,13α,14α-trimethylcrotal-1-enine; 14,19-Dihydro-12,13-dihydroxy(13α,14α)-20-norcrotalanan-11,15-dione; Crotaline; (13-α,14-α)-14,19-Dihydro-12,13-dihydroxy-20-norcrotalanan-11,15-dione; 2H-[1,6]Dioxacycloundecino[2,3,4-gh]pyrrolizine, 20-norcrotalanan-11,15-dione deriv.; 2H-[1,6]Dioxacycloundecino[2,3,4-gh]pyrrolizine-2,6(3H)-dione, 4,5,8,10,12,13,13a,13b-octahydro-4,5-dihydroxy-3,4,5-trimethyl-, (3R,4R,5R,13aR,13bR)-
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• Information on this page:
  • Normal alkane RI, non-polar column, custom temperature program
  • References
  • Notes
• Other data available:
  • Mass spectrum (electron ionization)
  • Gas Chromatography
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Normal alkane RI, non-polar column, custom temperature program

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director

References

Go To: Top, Normal alkane RI, non-polar column, custom temperature program, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Asres, Sporer, et al., 2004
Asres, K.; Sporer, F.; Wink, M., Patterns of pyrrolizidine alkaloids in 12 Ethiopian Crotalaria species, Biochem. Syst. Ecol., 2004, 32, 10, 915-930, https://doi.org/10.1016/j.bse.2004.03.004 . [all data]

Notes

Go To: Top, Normal alkane RI, non-polar column, custom temperature program, References

• Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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