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1R,1'R-3,4-Dehydrocycleanine

View entire compound with spectra: 1 MS (GC)

1R,1'R-3,4-Dehydrocycleanine
SpectraBase Compound ID Gg0BMFEw8VQ
InChI InChI=1S/C38H40N2O6/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/h7-17,21-22,29-30,34H,18-20H2,1-6H3/t29-,30-,34?/m1/s1
InChIKey KQXMNUMCYHWBTF-VLWHAACFSA-N
Mol Weight 620.7 g/mol
Molecular Formula C38H40N2O6
Exact Mass 620.288637 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7mPKZpZefpK
Name 1R,1'R-3,4-Dehydrocycleanine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C38H40N2O6
InChI InChI=1S/C38H40N2O6/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/h7-17,21-22,29-30,34H,18-20H2,1-6H3/t29-,30-,34?/m1/s1
InChIKey KQXMNUMCYHWBTF-VLWHAACFSA-N
Molecular Weight 620.746 g/mol
SMILES C1=2C3C(=CCN([C@@]3(Cc3ccc(Oc4c5[C@@](Cc6ccc(O1)cc6)(N(C=Cc5cc(OC)c4OC)C)[H])cc3)[H])C)C=C(C2OC)OC
SPLASH splash10-074i-0129007000-92d37fdc6949e376da90
Source of Spectrum E1-45-474-8
Wiley ID 1553776