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Cycleanine - .alpha.-N-Oxide
SpectraBase Compound ID GV4QT9o0LGF
InChI InChI=1S/C38H42N2O7/c1-39-17-15-25-21-31(42-3)35(44-5)37-33(25)29(39)19-23-7-11-28(12-8-23)47-38-34-26(22-32(43-4)36(38)45-6)16-18-40(2,41)30(34)20-24-9-13-27(46-37)14-10-24/h7-14,21-22,29-30H,15-20H2,1-6H3/t29-,30-,40-/m1/s1
InChIKey BJIBONWGTYBODI-OOGIGMLSSA-N
Mol Weight 638.8 g/mol
Molecular Formula C38H42N2O7
Exact Mass 638.299202 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID A7nwiAQuR2y
Name Cycleanine - .alpha.-N-Oxide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C38H42N2O7
InChI InChI=1S/C38H42N2O7/c1-39-17-15-25-21-31(42-3)35(44-5)37-33(25)29(39)19-23-7-11-28(12-8-23)47-38-34-26(22-32(43-4)36(38)45-6)16-18-40(2,41)30(34)20-24-9-13-27(46-37)14-10-24/h7-14,21-22,29-30H,15-20H2,1-6H3/t29-,30-,40-/m1/s1
InChIKey BJIBONWGTYBODI-OOGIGMLSSA-N
Molecular Weight 638.761 g/mol
SMILES c12c3c(OC)c(cc2CC[N@+]([C@@]1(Cc1ccc(Oc2c4c(CCN([C@@]4(Cc4ccc(O3)cc4)[H])C)cc(c2OC)OC)cc1)[H])([O-])C)OC
SPLASH splash10-022i-0003009000-68b272429918345fa313
Source of Spectrum G4-61-255-2
Wiley ID 1607108