| SpectraBase Compound ID | 1Xju4553b3O |
|---|---|
| InChI | InChI=1S/2C45H63N7O10S/c2*1-9-25(2)37(42(58)52-21-14-19-35(52)43(59)62-45(5,6)7)51-39(55)27(4)47-40(56)33(20-22-63-8)49-38(54)26(3)48-41(57)34(23-36(46)53)50-44(60)61-24-32-30-17-12-10-15-28(30)29-16-11-13-18-31(29)32/h2*10-13,15-18,25-27,32-35,37H,9,14,19-24H2,1-8H3,(H2,46,53)(H,47,56)(H,48,57)(H,49,54)(H,50,60)(H,51,55) |
| InChIKey | ZVHNNKKIIPPQBH-UHFFFAOYSA-N |
| Mol Weight | 1788.2 g/mol |
| Molecular Formula | C90H126N14O20S2 |
| Exact Mass | 1786.871425 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KEUHONhhNtC |
|---|---|
| Name | N-FMOC-ASN-ALA-MET-ALA-ILE-PRO-O-TBU |
| Compound Number | 8A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C90H126N14O20S2 |
| InChI | InChI=1S/2C45H63N7O10S/c2*1-9-25(2)37(42(58)52-21-14-19-35(52)43(59)62-45(5,6)7)51-39(55)27(4)47-40(56)33(20-22-63-8)49-38(54)26(3)48-41(57)34(23-36(46)53)50-44(60)61-24-32-30-17-12-10-15-28(30)29-16-11-13-18-31(29)32/h2*10-13,15-18,25-27,32-35,37H,9,14,19-24H2,1-8H3,(H2,46,53)(H,47,56)(H,48,57)(H,49,54)(H,50,60)(H,51,55) |
| InChIKey | ZVHNNKKIIPPQBH-UHFFFAOYSA-N |
| Literature Reference Author | G.R.PETTIT,B.E.TOKI,J.P.XU,D.C.BRUNE |
| Literature Reference Citation | J.NAT.PROD.,63,22(2000) |
| Literature Reference DOI | 10.1021/np990253+ |
| Molecular Weight | 1788.192 g/mol |
| Solvent | DMSO |
| Source File Reference | UWRU1643 |