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3-Dehydro-des-N-26-methyl-dihydro-pseudotomatidine

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

3-Dehydro-des-N-26-methyl-dihydro-pseudotomatidine
SpectraBase Compound ID AI6VKYFneiQ
InChI InChI=1S/C28H46O2/c1-6-17(2)7-10-24-18(3)26-25(30-24)16-23-21-9-8-19-15-20(29)11-13-27(19,4)22(21)12-14-28(23,26)5/h15,17-19,21-26,29H,6-14,16H2,1-5H3
InChIKey OTRUWVHSYNWISO-UHFFFAOYSA-N
Mol Weight 414.7 g/mol
Molecular Formula C28H46O2
Exact Mass 414.349781 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID K6yFrZj4TMW
Name 3-Dehydro-des-N-26-methyl-dihydro-pseudotomatidine
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 414.349780719 u
Formula C28H46O2
InChI InChI=1S/C28H46O2/c1-6-17(2)7-10-24-18(3)26-25(30-24)16-23-21-9-8-19-15-20(29)11-13-27(19,4)22(21)12-14-28(23,26)5/h15,17-19,21-26,29H,6-14,16H2,1-5H3
InChIKey OTRUWVHSYNWISO-UHFFFAOYSA-N
Molecular Weight 414.674 g/mol
SMILES C=1(O)CCC2(C)C(C1)CCC1C2CCC2(C)C3C(OC(CCC(C)CC)C3C)CC12