| SpectraBase Compound ID | Ezo5F2RWAty |
|---|---|
| InChI | InChI=1S/C48H78N8O15/c1-13-26(5)37(58)28(7)23-29(8)39-27(6)19-20-48(67,71-39)47(66,14-2)46(65)52-36-38(25(3)4)70-45(64)35(31(10)57)51-40(59)32-17-15-21-49-54(32)41(60)30(9)53(11)42(61)34(24-69-12)56(68)43(62)33-18-16-22-50-55(33)44(36)63/h13,23,25,27-28,30-36,38-39,49-50,57,66-68H,14-22,24H2,1-12H3,(H,51,59)(H,52,65)/b26-13+,29-23+/t27-,28-,30+,31-,32+,33+,34-,35+,36-,38-,39-,47+,48+/m0/s1 |
| InChIKey | GXVLICYFXVVWOH-PINDINOBSA-N |
| Mol Weight | 1007.2 g/mol |
| Molecular Formula | C48H78N8O15 |
| Exact Mass | 1006.558665 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8kR8Ctw906i |
|---|---|
| Name | KETTAPEPTIN |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C48H77N8O15 |
| InChI | InChI=1S/C48H78N8O15/c1-13-26(5)37(58)28(7)23-29(8)39-27(6)19-20-48(67,71-39)47(66,14-2)46(65)52-36-38(25(3)4)70-45(64)35(31(10)57)51-40(59)32-17-15-21-49-54(32)41(60)30(9)53(11)42(61)34(24-69-12)56(68)43(62)33-18-16-22-50-55(33)44(36)63/h13,23,25,27-28,30-36,38-39,49-50,57,66-68H,14-22,24H2,1-12H3,(H,51,59)(H,52,65)/b26-13+,29-23+/t27-,28-,30+,31-,32+,33+,34-,35+,36-,38-,39-,47+,48+/m0/s1 |
| InChIKey | GXVLICYFXVVWOH-PINDINOBSA-N |
| Literature Reference Author | R.P.MASKEY,S.FOTSO,M.SEVVANA,I.USON,I.GRUEN-WOLLNY,H.LAATSCH |
| Literature Reference Citation | J.ANTIBIOTICS,59,309(2006) |
| Literature Reference DOI | 10.1038/ja.2006.44 |
| Molecular Weight | 1006.184 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWMB115 |
| SpectraBase Batch ID | 7M2COYieaa2 |