| SpectraBase Compound ID | 64jzm1eQbVq |
|---|---|
| InChI | InChI=1S/C34H51N9O15/c35-20(7-1-2-11-37-30(51)19-6-3-10-25(46)29(19)50)26(47)15-28(49)38-24-16-58-34(55)22(9-5-13-43(57)18-45)40-32(53)23(14-27(36)48)41-31(52)21(39-33(24)54)8-4-12-42(56)17-44/h3,6,10,17-18,20-24,26,46-47,50,56-57H,1-2,4-5,7-9,11-16,35H2,(H2,36,48)(H,37,51)(H,38,49)(H,39,54)(H,40,53)(H,41,52)/t20-,21-,22-,23+,24+,26-/m0/s1 |
| InChIKey | FFAYQCOAOXEBPN-CXBWMIOTSA-N |
| Mol Weight | 825.8 g/mol |
| Molecular Formula | C34H51N9O15 |
| Exact Mass | 825.350462 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IpWuh6mgu6V |
|---|---|
| Name | LYSTABACTIN_B;CIS_ISOMER |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C34H49N9O15 |
| InChI | InChI=1S/C34H51N9O15/c35-20(7-1-2-11-37-30(51)19-6-3-10-25(46)29(19)50)26(47)15-28(49)38-24-16-58-34(55)22(9-5-13-43(57)18-45)40-32(53)23(14-27(36)48)41-31(52)21(39-33(24)54)8-4-12-42(56)17-44/h3,6,10,17-18,20-24,26,46-47,50,56-57H,1-2,4-5,7-9,11-16,35H2,(H2,36,48)(H,37,51)(H,38,49)(H,39,54)(H,40,53)(H,41,52)/t20-,21-,22-,23+,24+,26-/m0/s1 |
| InChIKey | FFAYQCOAOXEBPN-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 | 823.814 g/mol |
| Sample ID | 42397 |
| Solvent | CD3OD |