| SpectraBase Compound ID | EUMAFmjHddE |
|---|---|
| InChI | InChI=1S/C55H69N7O12/c1-32(2)43(58-49(67)45(35(6)63)60-53(72)73-31-37-22-14-10-15-23-37)48(66)59-44(33(3)4)51(69)62-46(36(7)74-54(62,8)9)50(68)57-41(47(65)56-34(5)52(70)71)30-42(64)61-55(38-24-16-11-17-25-38,39-26-18-12-19-27-39)40-28-20-13-21-29-40/h10-29,32-36,41,43-46,63H,30-31H2,1-9H3,(H,56,65)(H,57,68)(H,58,67)(H,59,66)(H,60,72)(H,61,64)(H,70,71)/t34-,35+,36-,41-,43-,44+,45+,46-/m1/s1 |
| InChIKey | FADPGPOEYNSIPS-DLJFEJBXSA-N |
| Mol Weight | 1020.2 g/mol |
| Molecular Formula | C55H69N7O12 |
| Exact Mass | 1019.500421 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | E5gfnp9UyG4 |
|---|---|
| Name | CBZ-L-THR-D-VAL-L-VAL-D-ALLO-THR(PSI-PRO)-D-ASN(TRT)-D-ALA-OH |
| Compound Number | 6 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C55H69N7O12 |
| InChI | InChI=1S/C55H69N7O12/c1-32(2)43(58-49(67)45(35(6)63)60-53(72)73-31-37-22-14-10-15-23-37)48(66)59-44(33(3)4)51(69)62-46(36(7)74-54(62,8)9)50(68)57-41(47(65)56-34(5)52(70)71)30-42(64)61-55(38-24-16-11-17-25-38,39-26-18-12-19-27-39)40-28-20-13-21-29-40/h10-29,32-36,41,43-46,63H,30-31H2,1-9H3,(H,56,65)(H,57,68)(H,58,67)(H,59,66)(H,60,72)(H,61,64)(H,70,71)/t34-,35+,36-,41-,43-,44+,45+,46-/m1/s1 |
| InChIKey | FADPGPOEYNSIPS-DLJFEJBXSA-N |
| Literature Reference Author | J.R.COCHRANE,D.H.YOON,C.S.P.MCERLEAN,K.A.JOLLIFFE |
| Literature Reference Citation | BEIL.J.ORG.CHEM.,8,1344(2012) |
| Literature Reference DOI | 10.3762/bjoc.8.154 |
| Molecular Weight | 1020.193 g/mol |
| Solvent | CD3CN |
| Source File Reference | UWIR11037 |