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Thaliphylline

View entire compound with spectra: 1 MS (GC)

Thaliphylline
SpectraBase Compound ID 23lh7mmVEwc
InChI InChI=1S/C37H40N2O6/c1-38-14-12-24-19-33-31(42-4)21-27(24)28(38)16-22-6-9-26(10-7-22)44-32-18-23(8-11-30(32)41-3)17-29-35-25(13-15-39(29)2)20-34(43-5)36(40)37(35)45-33/h6-11,18-21,28-29,40H,12-17H2,1-5H3/t28-,29-/m0/s1
InChIKey XHVRQOOXGBHNFA-VMPREFPWSA-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 GGMsBhmW7my
Name Thaliphylline
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C37H40N2O6
InChI InChI=1S/C37H40N2O6/c1-38-14-12-24-19-33-31(42-4)21-27(24)28(38)16-22-6-9-26(10-7-22)44-32-18-23(8-11-30(32)41-3)17-29-35-25(13-15-39(29)2)20-34(43-5)36(40)37(35)45-33/h6-11,18-21,28-29,40H,12-17H2,1-5H3/t28-,29-/m0/s1
InChIKey XHVRQOOXGBHNFA-VMPREFPWSA-N
Molecular Weight 608.735 g/mol
SMILES Oc1c2c3[C@@](N(C)CCc3cc1OC)(Cc1cc(Oc3ccc(C[C@]4(c5c(cc(O2)c(c5)OC)CCN4C)[H])cc3)c(cc1)OC)[H]
SPLASH splash10-0536-0905003000-d72bced9d8aac6c531ec
Source of Spectrum X2-50-556-253
Wiley ID 1602357