| SpectraBase Compound ID | 8PZ4r1UJIUC |
|---|---|
| InChI | InChI=1S/C35H55N9O16/c1-60-35(57)23(10-6-14-44(59)19-47)41-33(55)24(15-28(37)50)42-32(54)22(9-5-13-43(58)18-46)40-34(56)25(17-45)39-29(51)16-27(49)21(36)8-2-3-12-38-31(53)20-7-4-11-26(48)30(20)52/h4,7,11,18-19,21-25,27,45,48-49,52,58-59H,2-3,5-6,8-10,12-17,36H2,1H3,(H2,37,50)(H,38,53)(H,39,51)(H,40,56)(H,41,55)(H,42,54)/t21-,22-,23-,24+,25+,27-/m0/s1 |
| InChIKey | OLEUWZWFEISRJI-JCNAGRMRSA-N |
| Mol Weight | 857.9 g/mol |
| Molecular Formula | C35H55N9O16 |
| Exact Mass | 857.376677 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4MHVHTDl21f |
|---|---|
| Name | LYSTABACTIN_C;CIS_ISOMER |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C35H53N9O16 |
| InChI | InChI=1S/C35H55N9O16/c1-60-35(57)23(10-6-14-44(59)19-47)41-33(55)24(15-28(37)50)42-32(54)22(9-5-13-43(58)18-46)40-34(56)25(17-45)39-29(51)16-27(49)21(36)8-2-3-12-38-31(53)20-7-4-11-26(48)30(20)52/h4,7,11,18-19,21-25,27,45,48-49,52,58-59H,2-3,5-6,8-10,12-17,36H2,1H3,(H2,37,50)(H,38,53)(H,39,51)(H,40,56)(H,41,55)(H,42,54)/t21-,22-,23-,24+,25+,27-/m0/s1 |
| InChIKey | OLEUWZWFEISRJI-JCNAGRMRSA-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 | 855.857 g/mol |
| Sample ID | 42395 |
| Solvent | CD3OD |