| SpectraBase Compound ID | LYjkbiY9yWt |
|---|---|
| InChI | InChI=1S/C51H83N11O19/c1-4-26(2)14-9-7-5-6-8-10-15-28-24-34(66)57-35(27(3)64)47(75)61-22-13-18-32(61)46(74)60-21-12-17-31(60)42(70)55-29(16-11-20-54-51(52)53)41(69)58-36(39(67)48(76)77)43(71)56-30(25-63)45(73)62-23-19-33(65)38(62)44(72)59-37(50(80)81-28)40(68)49(78)79/h26-33,35-40,63-65,67-68H,4-25H2,1-3H3,(H,55,70)(H,56,71)(H,57,66)(H,58,69)(H,59,72)(H,76,77)(H,78,79)(H4,52,53,54)/t26?,27-,28-,29+,30+,31+,32-,33+,35-,36-,37+,38+,39-,40+/m1/s1 |
| InChIKey | WSVZUQYMNNHNBK-AGAWFILRSA-N |
| Mol Weight | 1154.3 g/mol |
| Molecular Formula | C51H83N11O19 |
| Exact Mass | 1153.586669 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 20ZzdH3X8jm |
|---|---|
| Name | TRIPROPEPTIN_AIC |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C51H83N11O19 |
| InChI | InChI=1S/C51H83N11O19/c1-4-26(2)14-9-7-5-6-8-10-15-28-24-34(66)57-35(27(3)64)47(75)61-22-13-18-32(61)46(74)60-21-12-17-31(60)42(70)55-29(16-11-20-54-51(52)53)41(69)58-36(39(67)48(76)77)43(71)56-30(25-63)45(73)62-23-19-33(65)38(62)44(72)59-37(50(80)81-28)40(68)49(78)79/h26-33,35-40,63-65,67-68H,4-25H2,1-3H3,(H,55,70)(H,56,71)(H,57,66)(H,58,69)(H,59,72)(H,76,77)(H,78,79)(H4,52,53,54)/t26?,27-,28-,29+,30+,31+,32-,33+,35-,36-,37+,38+,39-,40+/m1/s1 |
| InChIKey | WSVZUQYMNNHNBK-AGAWFILRSA-N |
| Literature Reference Author | H.HASHIZUME,M.IGARASHI,R.SAWA,H.ADACHI,Y.NISHIMURA,Y.AKAMATS U |
| Literature Reference Citation | J.ANTIBIOTICS,61,577(2008) |
| Literature Reference DOI | 10.1038/ja.2008.78 |
| Molecular Weight | 1154.282 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWMB423 |