| SpectraBase Compound ID | K5CV358hiw0 |
|---|---|
| InChI | InChI=1S/C34H53N9O16/c35-20(7-1-2-11-37-30(52)19-6-3-10-25(47)29(19)51)26(48)15-28(50)38-24(16-44)33(55)39-21(8-4-12-42(58)17-45)31(53)41-23(14-27(36)49)32(54)40-22(34(56)57)9-5-13-43(59)18-46/h3,6,10,17-18,20-24,26,44,47-48,51,58-59H,1-2,4-5,7-9,11-16,35H2,(H2,36,49)(H,37,52)(H,38,50)(H,39,55)(H,40,54)(H,41,53)(H,56,57)/t20-,21-,22-,23+,24+,26-/m0/s1 |
| InChIKey | CBMIIXONCOLGBW-CXBWMIOTSA-N |
| Mol Weight | 843.8 g/mol |
| Molecular Formula | C34H53N9O16 |
| Exact Mass | 843.361027 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DXPCgSmo2Md |
|---|---|
| Name | LYSTABACTIN_A;TRANS_ISOMER |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C34H51N9O16 |
| InChI | InChI=1S/C34H53N9O16/c35-20(7-1-2-11-37-30(52)19-6-3-10-25(47)29(19)51)26(48)15-28(50)38-24(16-44)33(55)39-21(8-4-12-42(58)17-45)31(53)41-23(14-27(36)49)32(54)40-22(34(56)57)9-5-13-43(59)18-46/h3,6,10,17-18,20-24,26,44,47-48,51,58-59H,1-2,4-5,7-9,11-16,35H2,(H2,36,49)(H,37,52)(H,38,50)(H,39,55)(H,40,54)(H,41,53)(H,56,57)/t20-,21-,22-,23+,24+,26-/m0/s1 |
| InChIKey | CBMIIXONCOLGBW-CXBWMIOTSA-N |
| Literature Reference Author | H.K.ZANE,A.BUTLER |
| Literature Reference Citation | J.NAT.PROD.,76,648(2013) |
| Literature Reference DOI | 10.1021/np3008655 |
| Molecular Weight | 841.830 g/mol |
| Sample ID | 42394 |
| Solvent | CD3OD |