| SpectraBase Compound ID | EHBPQklhDjT |
|---|---|
| InChI | InChI=1S/C77H127N19O19/c1-39(2)33-45(38-97)84-58(103)48(27-30-54(78)99)86-64(109)71(9,10)92-62(107)51(34-40(3)4)85-59(104)49(28-31-55(79)100)87-66(111)73(13,14)95-70(115)77(21,22)96-69(114)76(19,20)91-61(106)50(29-32-56(80)101)88-65(110)72(11,12)93-63(108)52(35-41(5)6)89-67(112)74(15,16)94-68(113)75(17,18)90-57(102)42(7)82-60(105)53(83-43(8)98)36-44-37-81-47-26-24-23-25-46(44)47/h23-26,37,39-42,45,48-53,81,97H,27-36,38H2,1-22H3,(H2,78,99)(H2,79,100)(H2,80,101)(H,82,105)(H,83,98)(H,84,103)(H,85,104)(H,86,109)(H,87,111)(H,88,110)(H,89,112)(H,90,102)(H,91,106)(H,92,107)(H,93,108)(H,94,113)(H,95,115)(H,96,114) |
| InChIKey | QXMNSBVEOAGSSK-UHFFFAOYSA-N |
| Mol Weight | 1623.0 g/mol |
| Molecular Formula | C77H127N19O19 |
| Exact Mass | 1621.955563 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 99Nc0T7EAJv |
|---|---|
| Name | AMPULLOSPORIN;AC-TRP-ALA-AIB-AIB-LEU-AIB-GLN-AIB-AIB-AIB-GLN-LEU-AIB-GLN-LEU-OH |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C77H127N19O19 |
| InChI | InChI=1S/C77H127N19O19/c1-39(2)33-45(38-97)84-58(103)48(27-30-54(78)99)86-64(109)71(9,10)92-62(107)51(34-40(3)4)85-59(104)49(28-31-55(79)100)87-66(111)73(13,14)95-70(115)77(21,22)96-69(114)76(19,20)91-61(106)50(29-32-56(80)101)88-65(110)72(11,12)93-63(108)52(35-41(5)6)89-67(112)74(15,16)94-68(113)75(17,18)90-57(102)42(7)82-60(105)53(83-43(8)98)36-44-37-81-47-26-24-23-25-46(44)47/h23-26,37,39-42,45,48-53,81,97H,27-36,38H2,1-22H3,(H2,78,99)(H2,79,100)(H2,80,101)(H,82,105)(H,83,98)(H,84,103)(H,85,104)(H,86,109)(H,87,111)(H,88,110)(H,89,112)(H,90,102)(H,91,106)(H,92,107)(H,93,108)(H,94,113)(H,95,115)(H,96,114) |
| InChIKey | QXMNSBVEOAGSSK-UHFFFAOYSA-N |
| Literature Reference Author | M.RITZAU,S.HEINZE,K.DORNBERGER,A.BERG,W.FLECK,B.SCHLEGEL,A.H AERTL,U.GRAEFE |
| Literature Reference Citation | J.ANTIBIOTICS,50,722(1997) |
| Literature Reference DOI | 10.7164/antibiotics.50.722 |
| Molecular Weight | 1622.971 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWCS24907 |