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MEEHANINE_Q;ISOMER_1
SpectraBase Compound ID 59mKrXj9RMo
InChI InChI=1S/C44H61N3O15/c1-5-25(2)42(56)47-21-9-19-46-34(49)22-32(45-20-18-31(23-47)59-27(4)48)29-13-15-30(16-14-29)60-44-41(39(54)36(51)26(3)58-44)62-43-40(55)38(53)37(52)33(61-43)24-57-35(50)17-12-28-10-7-6-8-11-28/h6-8,10-17,25-26,31-33,36-41,43-45,51-55H,5,9,18-24H2,1-4H3,(H,46,49)/b17-12+/t25-,26+,31+,32-,33-,36+,37-,38+,39-,40-,41-,43+,44+/m0/s1
InChIKey OTMSRGASJVACLV-RTRWWHCJSA-N
Mol Weight 872.0 g/mol
Molecular Formula C44H61N3O15
Exact Mass 871.410268 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Bghz5rTW0y9
Name MEEHANINE_Q;ISOMER_2
Compound Number 6
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C44H61N3O15
InChI InChI=1S/C44H61N3O15/c1-5-25(2)42(56)47-21-9-19-46-34(49)22-32(45-20-18-31(23-47)59-27(4)48)29-13-15-30(16-14-29)60-44-41(39(54)36(51)26(3)58-44)62-43-40(55)38(53)37(52)33(61-43)24-57-35(50)17-12-28-10-7-6-8-11-28/h6-8,10-17,25-26,31-33,36-41,43-45,51-55H,5,9,18-24H2,1-4H3,(H,46,49)/b17-12+/t25-,26+,31+,32-,33-,36+,37-,38+,39-,40-,41-,43+,44+/m0/s1
InChIKey OTMSRGASJVACLV-RTRWWHCJSA-N
Literature Reference Author T.MURATA,T.MIYASE,F.YOSHIZAKI
Literature Reference Citation J.NAT.PROD.,72,1937(2009)
Literature Reference DOI 10.1021/np900454r
Molecular Weight 871.979 g/mol
Sample ID 34035
Solvent CD3OD