| SpectraBase Compound ID | EWasSb7siCL |
|---|---|
| InChI | InChI=1S/C88H107N9O20/c1-60(2)48-71(92-84(106)73(57-111-50-62-30-16-8-17-31-62)93-81(103)70(97-87(109)117-88(3,4)5)44-47-78(100)116-55-67-40-26-13-27-41-67)82(104)94-74(58-112-51-63-32-18-9-19-33-63)85(107)96-75(59-113-52-64-34-20-10-21-35-64)86(108)95-72(56-110-49-61-28-14-7-15-29-61)83(105)91-69(43-46-77(99)115-54-66-38-24-12-25-39-66)80(102)90-68(79(101)89-6)42-45-76(98)114-53-65-36-22-11-23-37-65/h7-41,60,68-75H,42-59H2,1-6H3,(H,89,101)(H,90,102)(H,91,105)(H,92,106)(H,93,103)(H,94,104)(H,95,108)(H,96,107)(H,97,109)/t68-,69-,70-,71-,72-,73-,74-,75-/m1/s1 |
| InChIKey | FEKKAIDNCMUJNO-XIFZHNOSSA-N |
| Mol Weight | 1610.9 g/mol |
| Molecular Formula | C88H107N9O20 |
| Exact Mass | 1609.763237 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7hLstLn0Yu5 |
|---|---|
| Name | BOC-GLU(OBZL)-SER(BZL)-LEU-SER(BZL)-SER(BZL)-SER(BZL)-GLU(OBZL)-GLU(OBZL)-NHME |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C88H107N9O20 |
| InChI | InChI=1S/C88H107N9O20/c1-60(2)48-71(92-84(106)73(57-111-50-62-30-16-8-17-31-62)93-81(103)70(97-87(109)117-88(3,4)5)44-47-78(100)116-55-67-40-26-13-27-41-67)82(104)94-74(58-112-51-63-32-18-9-19-33-63)85(107)96-75(59-113-52-64-34-20-10-21-35-64)86(108)95-72(56-110-49-61-28-14-7-15-29-61)83(105)91-69(43-46-77(99)115-54-66-38-24-12-25-39-66)80(102)90-68(79(101)89-6)42-45-76(98)114-53-65-36-22-11-23-37-65/h7-41,60,68-75H,42-59H2,1-6H3,(H,89,101)(H,90,102)(H,91,105)(H,92,106)(H,93,103)(H,94,104)(H,95,108)(H,96,107)(H,97,109)/t68-,69-,70-,71-,72-,73-,74-,75-/m1/s1 |
| InChIKey | FEKKAIDNCMUJNO-XIFZHNOSSA-N |
| Literature Reference Author | J.W.PERICH,R.B.JOHNS |
| Literature Reference Citation | AUSTR.J.CHEM.,45,1857(1992) |
| Molecular Weight | 1610.866 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWTS2531 |