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Streptorubin
SpectraBase Compound ID AIXG5EOUncQ
InChI InChI=1S/C26H35N3O/c1-3-4-7-11-19-12-8-5-6-9-13-22-21(19)16-20(28-22)17-25-26(30-2)18-24(29-25)23-14-10-15-27-23/h10,14-19,27-28H,3-9,11-13H2,1-2H3/b25-17-
InChIKey UUUDFIYCCRVKHJ-UQQQWYQISA-N
Mol Weight 405.6 g/mol
Molecular Formula C26H35N3O
Exact Mass 405.278013 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID L9Lt1qWL91a
Name Streptorubin
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H35N3O
InChI InChI=1S/C26H35N3O/c1-3-4-7-11-19-12-8-5-6-9-13-22-21(19)16-20(28-22)17-25-26(30-2)18-24(29-25)23-14-10-15-27-23/h10,14-19,27-28H,3-9,11-13H2,1-2H3/b25-17-
InChIKey UUUDFIYCCRVKHJ-UQQQWYQISA-N
Instrument Name Agilent 6210
Ionization Type EI
Literature Reference DOI 10.1021/np400531b
Molecular Weight 405.586 g/mol
Reported Formula C25H33N3O
SMILES [nH]1cccc1C=1C=C(\C(=C\c2cc3c(CCCCCCC3CCCCC)[nH]2)N1)OC
SPLASH splash10-0a4i-5005900000-5ea8019bd32611965ed4
Source of Spectrum G4-76-SM10-22
Wiley ID 1865650