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N,o-Diacetylpachastrissamine

View entire compound with spectra: 1 NMR, and 1 MS (GC)

N,o-Diacetylpachastrissamine
SpectraBase Compound ID AX7m6bbLsVs
InChI InChI=1S/C22H41NO4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-21-22(27-19(3)25)20(17-26-21)23-18(2)24/h20-22H,4-17H2,1-3H3,(H,23,24)/t20-,21-,22-/m0/s1
InChIKey LUFXSTBCUCLTGY-FKBYEOEOSA-N
Mol Weight 383.6 g/mol
Molecular Formula C22H41NO4
Exact Mass 383.303559 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FsowGeUime1
Name N,o-Diacetylpachastrissamine
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 383.303558800 u
Formula C22H41NO4
InChI InChI=1S/C22H41NO4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-21-22(27-19(3)25)20(17-26-21)23-18(2)24/h20-22H,4-17H2,1-3H3,(H,23,24)/t20-,21-,22-/m0/s1
InChIKey LUFXSTBCUCLTGY-FKBYEOEOSA-N
Molecular Weight 383.573 g/mol
SMILES [C@]1([C@@](NC(=O)C)(CO[C@]1(CCCCCCCCCCCCCC)[H])[H])(OC(=O)C)[H]