Tomatidine

• Formula: C₂₇H₄₅NO₂
• Molecular weight: 415.6517
• IUPAC Standard InChI: InChI=1S/C27H45NO2/c1-16-7-12-27(28-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(29)8-10-25(18,3)21(20)9-11-26(22,24)4/h16-24,28-29H,5-15H2,1-4H3/t16-,17?,18-,19-,20?,21?,22?,23?,24?,25?,26?,27?/m1/s1 Copy

  
• IUPAC Standard InChIKey: XYNPYHXGMWJBLV-PQEHJEBQSA-N Copy
• CAS Registry Number: 77-59-8
• Chemical structure:
  This structure is also available as a 2d Mol file or as a computed 3d SD file
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• Other names: Spirosolan-3-ol, (3β,5α,22β,25S)-; 5α-Tomatidan-3β-ol; Tomatidin
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• Information on this page:
  • Kovats' RI, non-polar column, isothermal
  • References
  • Notes
• Other data available:
  • Mass spectrum (electron ionization)
  • Gas Chromatography
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Kovats' RI, non-polar column, isothermal

Go To: Top, References, Notes

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, Kovats' RI, non-polar column, isothermal, Notes

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

van Gelder, Jonker, et al., 1988
van Gelder, W.M.J.; Jonker, H.H.; Huizing, H.J.; Scheffer, J.J.C., Capillary gas chromatography of steroidal alkaloids from Solanaceae. Retention indices and simultaneous flame ionization/nitrogen-specific detection, J. Chromatogr., 1988, 442, 133-145, https://doi.org/10.1016/S0021-9673(00)94463-7 . [all data]

Notes

Go To: Top, Kovats' RI, non-polar column, isothermal, References

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