| SpectraBase Compound ID | EWffUmUnsi3 |
|---|---|
| InChI | InChI=1S/C48H65N9O19/c49-19-4-1-13-28(52-40(65)25-10-7-16-34(59)37(25)62)43(68)55-31(22-58)47(73)76-24-33(57-45(70)30(15-3-6-21-51)54-42(67)27-12-9-18-36(61)39(27)64)48(74)75-23-32(46(71)72)56-44(69)29(14-2-5-20-50)53-41(66)26-11-8-17-35(60)38(26)63/h7-12,16-18,28-33,58-64H,1-6,13-15,19-24,49-51H2,(H,52,65)(H,53,66)(H,54,67)(H,55,68)(H,56,69)(H,57,70)(H,71,72)/t28-,29-,30-,31+,32+,33+/m1/s1 |
| InChIKey | YTIOHQGZCPYGOD-OKYIMTKNSA-N |
| Mol Weight | 1072.1 g/mol |
| Molecular Formula | C48H65N9O19 |
| Exact Mass | 1071.439671 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Ep5qFsGtkFu |
|---|---|
| Name | LINEAR_TRICHRYSOBACTIN |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C48H65N9O19 |
| InChI | InChI=1S/C48H65N9O19/c49-19-4-1-13-28(52-40(65)25-10-7-16-34(59)37(25)62)43(68)55-31(22-58)47(73)76-24-33(57-45(70)30(15-3-6-21-51)54-42(67)27-12-9-18-36(61)39(27)64)48(74)75-23-32(46(71)72)56-44(69)29(14-2-5-20-50)53-41(66)26-11-8-17-35(60)38(26)63/h7-12,16-18,28-33,58-64H,1-6,13-15,19-24,49-51H2,(H,52,65)(H,53,66)(H,54,67)(H,55,68)(H,56,69)(H,57,70)(H,71,72)/t28-,29-,30-,31+,32+,33+/m1/s1 |
| InChIKey | YTIOHQGZCPYGOD-OKYIMTKNSA-N |
| Literature Reference Author | M.SANDY,A.BUTLER |
| Literature Reference Citation | J.NAT.PROD.,74,1207(2011) |
| Literature Reference DOI | 10.1021/np200126z |
| Molecular Weight | 1072.093 g/mol |
| Sample ID | 38227 |
| Solvent | CD3OD |