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Thalirugidine

View entire compound with spectra: 2 MS (GC)

Thalirugidine
SpectraBase Compound ID LPkHmj0wJpO
InChI InChI=1S/C39H46N2O8/c1-40-16-14-26-28(21-34(45-4)38(47-6)36(26)42)30(40)18-23-8-11-25(12-9-23)49-33-20-24(10-13-32(33)44-3)19-31-29-22-35(46-5)39(48-7)37(43)27(29)15-17-41(31)2/h8-13,20-22,30-31,42-43H,14-19H2,1-7H3
InChIKey DITCAWDOTGUOAZ-UHFFFAOYSA-N
Mol Weight 670.8 g/mol
Molecular Formula C39H46N2O8
Exact Mass 670.325416 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6J6p75XmGcR
Name Thalirugidine
CAS Registry Number 64215-95-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C39H46N2O8
InChI InChI=1S/C39H46N2O8/c1-40-16-14-26-28(21-34(45-4)38(47-6)36(26)42)30(40)18-23-8-11-25(12-9-23)49-33-20-24(10-13-32(33)44-3)19-31-29-22-35(46-5)39(48-7)37(43)27(29)15-17-41(31)2/h8-13,20-22,30-31,42-43H,14-19H2,1-7H3
InChIKey DITCAWDOTGUOAZ-UHFFFAOYSA-N
Molecular Weight 670.803 g/mol
SMILES Oc1c2c(C(Cc3cc(Oc4ccc(CC5c6c(c(c(c(c6)OC)OC)O)CCN5C)cc4)c(cc3)OC)N(CC2)C)cc(c1OC)OC
SPLASH splash10-00di-0190000000-f82b0f5f50900278c7f3
Source of Spectrum X2-44-48-4
Wiley ID 1600864