| 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
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| SpectraBase Spectrum ID | ItjdmcagklA |
|---|---|
| Name | MEEHANINE_Q;ISOMER_1 |
| 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 | 34034 |
| Solvent | CD3OD |