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Pyrinodemin C

View entire compound with spectra: 1 MS (GC)

Pyrinodemin C
SpectraBase Compound ID GuuXYjDdvyK
InChI InChI=1S/C37H57N3O/c1(2-4-6-10-14-21-33-23-19-28-38-31-33)3-5-9-13-17-30-40-36-26-18-25-35(36)37(41-40)27-16-12-8-7-11-15-22-34-24-20-29-39-32-34/h5,9,19-20,23-24,28-29,31-32,35-37H,1-4,6-8,10-18,21-22,25-27,30H2/b9-5-/t35-,36+,37-/m0/s1
InChIKey FRALZFIIIKECNY-RWUJHQASSA-N
Mol Weight 559.9 g/mol
Molecular Formula C37H57N3O
Exact Mass 559.450163 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7dDs9qGO1jj
Name Pyrinodemin C
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C37H57N3O
InChI InChI=1S/C37H57N3O/c1(2-4-6-10-14-21-33-23-19-28-38-31-33)3-5-9-13-17-30-40-36-26-18-25-35(36)37(41-40)27-16-12-8-7-11-15-22-34-24-20-29-39-32-34/h5,9,19-20,23-24,28-29,31-32,35-37H,1-4,6-8,10-18,21-22,25-27,30H2/b9-5-/t35-,36+,37-/m0/s1
InChIKey FRALZFIIIKECNY-RWUJHQASSA-N
Molecular Weight 559.883 g/mol
SMILES [C@@]1(ON([C@]2([C@@]1(CCC2)[H])[H])CCC\C=C/CCCCCCCCc1cnccc1)(CCCCCCCCc1cnccc1)[H]
SPLASH splash10-052f-5933000000-b479e2ad0568ce029a5d
Source of Spectrum E2-48-976-2
Synonyms (3S,3aS,6aR)-3-[8-(3-pyridinyl)octyl]-1-[(Z)-13-(3-pyridinyl)tridec-4-enyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[c]isoxazole (3S,3aS,6aR)-3-[8-(3-pyridyl)octyl]-1-[(Z)-13-(3-pyridyl)tridec-4-enyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[c]isoxazole (3S,3aS,6aR)-3-(8-pyridin-3-yloctyl)-1-[(Z)-13-pyridin-3-yltridec-4-enyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[c][1,2]oxazole
Wiley ID 1555212