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Lasiocarpine

View entire compound with spectra: 2 NMR, and 2 FTIR

Lasiocarpine
SpectraBase Compound ID 5rRfMIxpur5
InChI InChI=1S/C21H33NO7/c1-7-13(2)18(23)29-16-9-11-22-10-8-15(17(16)22)12-28-19(24)21(26,14(3)27-6)20(4,5)25/h7-8,14,16-17,25-26H,9-12H2,1-6H3/b13-7-/t14-,16+,17-,21+/m1/s1
InChIKey QHOZSLCIKHUPSU-GTZNJGJUSA-N
Mol Weight 411.5 g/mol
Molecular Formula C21H33NO7
Exact Mass 411.225702 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Jf5Fy5oRUPy
Name LASIOCAPRINE
Source of Sample Department of Health and Human Services, National Toxicology Program, Research Triangle Park, North Carolina
Comments Tentative assignment
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21 H33 N O7
InChI InChI=1S/C21H33NO7/c1-7-13(2)18(23)29-16-9-11-22-10-8-15(17(16)22)12-28-19(24)21(26,14(3)27-6)20(4,5)25/h7-8,14,16-17,25-26H,9-12H2,1-6H3/b13-7-/t14-,16+,17-,21+/m1/s1
InChIKey QHOZSLCIKHUPSU-GTZNJGJUSA-N
Molecular Weight 411.50
Solvent Chloroform-d; Reference=TMS Spectrometer= Varian CFT-20
Synonyms CROTONIC ACID, 2-METHYL-, 7-/HYDROXYMETHYL/-2,3,5,7A-TETRAHYDRO- 1H-PYRROLIZIN-1-YL ESTER, 2,3-DIHYDROXY-2-/1-METHOXYETHYL/-3-METHYLBUTYRATE (ESTER) LASIOCARPINE