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N-Desmethyl-cycleanine

View entire compound with spectra: 1 NMR, and 1 MS (GC)

N-Desmethyl-cycleanine
SpectraBase Compound ID 4OeqBFTJKrs
InChI InChI=1S/C37H40N2O6/c1-39-17-15-25-21-31(41-3)35(43-5)37-33(25)29(39)19-23-8-12-26(13-9-23)44-36-32-24(20-30(40-2)34(36)42-4)14-16-38-28(32)18-22-6-10-27(45-37)11-7-22/h6-13,20-21,28-29,38H,14-19H2,1-5H3/t28-,29-/m1/s1
InChIKey ZYKGNXPEWXZKGA-FQLXRVMXSA-N
Mol Weight 608.7 g/mol
Molecular Formula C37H40N2O6
Exact Mass 608.288637 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 55fTNUtTXDl
Name N-Desmethyl-cycleanine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C37H40N2O6
InChI InChI=1S/C37H40N2O6/c1-39-17-15-25-21-31(41-3)35(43-5)37-33(25)29(39)19-23-8-12-26(13-9-23)44-36-32-24(20-30(40-2)34(36)42-4)14-16-38-28(32)18-22-6-10-27(45-37)11-7-22/h6-13,20-21,28-29,38H,14-19H2,1-5H3/t28-,29-/m1/s1
InChIKey ZYKGNXPEWXZKGA-FQLXRVMXSA-N
Molecular Weight 608.735 g/mol
SMILES N1CCc2c3c(Oc4ccc(C[C@@]5(c6c(Oc7ccc(C[C@@]13[H])cc7)c(c(cc6CCN5C)OC)OC)[H])cc4)c(c(c2)OC)OC
SPLASH splash10-03di-0519000000-5c7e997f9118a5fa7422
Source of Spectrum X2-50-546-233
Wiley ID 1602305