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Cycleanine
SpectraBase Compound ID Bd8sdVa7wv5
InChI InChI=1S/C38H42N2O6/c1-39-17-15-25-21-31(41-3)35(43-5)37-33(25)29(39)19-23-7-11-28(12-8-23)46-38-34-26(22-32(42-4)36(38)44-6)16-18-40(2)30(34)20-24-9-13-27(45-37)14-10-24/h7-14,21-22,29-30H,15-20H2,1-6H3/t29-,30-/m1/s1
InChIKey ANOXEUSGZWSCQL-LOYHVIPDSA-N
Mol Weight 622.8 g/mol
Molecular Formula C38H42N2O6
Exact Mass 622.304287 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3Nl5wK6yMjU
Name (-)-Cycleanine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C38H42N2O6
InChI InChI=1S/C38H42N2O6/c1-39-17-15-25-21-31(41-3)35(43-5)37-33(25)29(39)19-23-7-11-28(12-8-23)46-38-34-26(22-32(42-4)36(38)44-6)16-18-40(2)30(34)20-24-9-13-27(45-37)14-10-24/h7-14,21-22,29-30H,15-20H2,1-6H3/t29-,30-/m1/s1
InChIKey ANOXEUSGZWSCQL-LOYHVIPDSA-N
Molecular Weight 622.762 g/mol
SMILES c12c3c(OC)c(cc2CCN([C@@]1(Cc1ccc(Oc2c4c(CCN([C@@]4(Cc4ccc(O3)cc4)[H])C)cc(c2OC)OC)cc1)[H])C)OC
SPLASH splash10-0229-0008009000-3e689f69593d28cbbc8b
Source of Spectrum E1-45-474-9
Wiley ID 1553775