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des-N-26-Methylene-dihydrotomatidine

View entire compound with spectra: 1 NMR, and 1 FTIR

des-N-26-Methylene-dihydrotomatidine
SpectraBase Compound ID AALv6R09rO0
InChI InChI=1S/C28H48O2/c1-17-5-7-19(8-6-17)18(2)26-25(30)16-24-22-10-9-20-15-21(29)11-13-27(20,3)23(22)12-14-28(24,26)4/h17-26,29-30H,5-16H2,1-4H3
InChIKey KJZJYHAWOGSYRC-UHFFFAOYSA-N
Mol Weight 416.7 g/mol
Molecular Formula C28H48O2
Exact Mass 416.365431 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1I8hmSqld1b
Name des-N-26-Methylene-dihydrotomatidine
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 416.365430784 u
Formula C28H48O2
InChI InChI=1S/C28H48O2/c1-17-5-7-19(8-6-17)18(2)26-25(30)16-24-22-10-9-20-15-21(29)11-13-27(20,3)23(22)12-14-28(24,26)4/h17-26,29-30H,5-16H2,1-4H3
InChIKey KJZJYHAWOGSYRC-UHFFFAOYSA-N
Molecular Weight 416.690 g/mol
SMILES C1(O)C(C2(C)CCC3C4(C)CCC(O)CC4CCC3C2C1)C(C1CCC(C)CC1)C