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PAECILODEPSIPEPTIDE_A
SpectraBase Compound ID JIQ4JBRXO8l
InChI InChI=1S/C40H47N5O9/c1-24(2)18-19-53-31-16-12-29(13-17-31)21-33-40(52)54-34(22-27-8-6-5-7-9-27)39(51)43-25(3)36(48)41-23-35(47)44-32(20-28-10-14-30(46)15-11-28)38(50)42-26(4)37(49)45-33/h5-18,25-26,32-34,46H,19-23H2,1-4H3,(H,41,48)(H,42,50)(H,43,51)(H,44,47)(H,45,49)/t25-,26+,32+,33+,34-/m0/s1
InChIKey JNXJCUUDHZAFNN-ZIWQVPDVSA-N
Mol Weight 741.8 g/mol
Molecular Formula C40H47N5O9
Exact Mass 741.337378 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GDLszX0DEAb
Name PAECILODEPSIPEPTIDE_A
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C40H47N5O9
InChI InChI=1S/C40H47N5O9/c1-24(2)18-19-53-31-16-12-29(13-17-31)21-33-40(52)54-34(22-27-8-6-5-7-9-27)39(51)43-25(3)36(48)41-23-35(47)44-32(20-28-10-14-30(46)15-11-28)38(50)42-26(4)37(49)45-33/h5-18,25-26,32-34,46H,19-23H2,1-4H3,(H,41,48)(H,42,50)(H,43,51)(H,44,47)(H,45,49)/t25-,26+,32+,33+,34-/m0/s1
InChIKey JNXJCUUDHZAFNN-ZIWQVPDVSA-N
Literature Reference Author M.ISAKA,S.PALASARN,S.LAPANUN,K.SRIKLUNG
Literature Reference Citation J.NAT.PROD.,70,675(2007)
Literature Reference DOI 10.1021/np060602h
Molecular Weight 741.841 g/mol
Sample ID 30194
Solvent DMSO-D6