| SpectraBase Compound ID | 96tz7JEvsI0 |
|---|---|
| InChI | InChI=1S/C40H61N3O15/c1-7-21(3)37(51)43-17-9-15-42-30(45)18-28(41-16-14-27(19-43)55-24(6)44)25-10-12-26(13-11-25)56-40-36(34(49)31(46)23(5)54-40)58-39-35(50)33(48)32(47)29(57-39)20-53-38(52)22(4)8-2/h8,10-13,21,23,27-29,31-36,39-41,46-50H,7,9,14-20H2,1-6H3,(H,42,45)/b22-8+/t21-,23+,27+,28-,29-,31+,32-,33+,34-,35-,36-,39+,40+/m0/s1 |
| InChIKey | OTFKFFVPSWCTJU-WCRGHXTJSA-N |
| Mol Weight | 823.9 g/mol |
| Molecular Formula | C40H61N3O15 |
| Exact Mass | 823.410268 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8sZ0kHDRIw6 |
|---|---|
| Name | MEEHANINE_J;ISOMER_2 |
| Compound Number | 10 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C40H61N3O15 |
| InChI | InChI=1S/C40H61N3O15/c1-7-21(3)37(51)43-17-9-15-42-30(45)18-28(41-16-14-27(19-43)55-24(6)44)25-10-12-26(13-11-25)56-40-36(34(49)31(46)23(5)54-40)58-39-35(50)33(48)32(47)29(57-39)20-53-38(52)22(4)8-2/h8,10-13,21,23,27-29,31-36,39-41,46-50H,7,9,14-20H2,1-6H3,(H,42,45)/b22-8+/t21-,23+,27+,28-,29-,31+,32-,33+,34-,35-,36-,39+,40+/m0/s1 |
| InChIKey | OTFKFFVPSWCTJU-WCRGHXTJSA-N |
| Literature Reference Author | T.MURATA,T.MIYASE,T.WARASHINA,F.YOSHIZAKI |
| Literature Reference Citation | J.NAT.PROD.,72,1049(2009) |
| Literature Reference DOI | 10.1021/np800691k |
| Molecular Weight | 823.935 g/mol |
| Sample ID | 32737 |
| Solvent | CD3OD |