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Thalmiculine

View entire compound with spectra: 1 MS (GC)

Thalmiculine
SpectraBase Compound ID KROCGAJHSnY
InChI InChI=1S/C38H42N2O7/c1-39-15-13-25-27-21-34(37(44-5)35(25)41)47-36-26-14-16-40(2)29(28(26)20-33(43-4)38(36)45-6)17-22-7-10-24(11-8-22)46-32-19-23(18-30(27)39)9-12-31(32)42-3/h7-12,19-21,29-30,41H,13-18H2,1-6H3/t29-,30-/m0/s1
InChIKey DPEKXFZXWPFXLP-KYJUHHDHSA-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 C6kH015USEl
Name Thalmiculine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C38H42N2O7
InChI InChI=1S/C38H42N2O7/c1-39-15-13-25-27-21-34(37(44-5)35(25)41)47-36-26-14-16-40(2)29(28(26)20-33(43-4)38(36)45-6)17-22-7-10-24(11-8-22)46-32-19-23(18-30(27)39)9-12-31(32)42-3/h7-12,19-21,29-30,41H,13-18H2,1-6H3/t29-,30-/m0/s1
InChIKey DPEKXFZXWPFXLP-KYJUHHDHSA-N
Molecular Weight 638.761 g/mol
SMILES Oc1c(c2Oc3c4c([C@@](Cc5ccc(Oc6cc(C[C@]7(c(c2)c1CCN7C)[H])ccc6OC)cc5)([H])N(CC4)C)cc(c3OC)OC)OC
SPLASH splash10-000i-0131209000-5dff7a81a573aa6eb41f
Source of Spectrum X2-49-492-1
Wiley ID 1601907