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des-N-Dihydropseudotomatidine acetate

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

des-N-Dihydropseudotomatidine acetate
SpectraBase Compound ID BB5BX4Rli2B
InChI InChI=1S/C30H50O3/c1-7-18(2)8-11-26-19(3)28-27(33-26)17-25-23-10-9-21-16-22(32-20(4)31)12-14-29(21,5)24(23)13-15-30(25,28)6/h18-19,21-28H,7-17H2,1-6H3
InChIKey ULYIUFRHWFAIOK-UHFFFAOYSA-N
Mol Weight 458.7 g/mol
Molecular Formula C30H50O3
Exact Mass 458.375995 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DEezwl7bY8O
Name des-N-Dihydropseudotomatidine acetate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 458.375995467 u
Formula C30H50O3
InChI InChI=1S/C30H50O3/c1-7-18(2)8-11-26-19(3)28-27(33-26)17-25-23-10-9-21-16-22(32-20(4)31)12-14-29(21,5)24(23)13-15-30(25,28)6/h18-19,21-28H,7-17H2,1-6H3
InChIKey ULYIUFRHWFAIOK-UHFFFAOYSA-N
Molecular Weight 458.727 g/mol
SMILES CCC(C)CCC1C(C)C2C3(C)CCC4C5(C)CCC(OC(=O)C)CC5CCC4C3CC2O1