| SpectraBase Compound ID | IWR9wqjQthr |
|---|---|
| InChI | InChI=1S/C61H90N2O18/c1-37-19-17-15-13-11-9-7-8-10-12-14-16-18-20-51(79-60-58(76)57(75)56(40(4)78-60)63-41(5)64)34-54-39(3)53(73)36-61(77,81-54)35-50(71)31-48(69)29-46(67)27-45(66)28-47(68)30-49(70)33-55(74)80-59(37)38(2)21-26-44(65)32-52(72)42-22-24-43(62-6)25-23-42/h7-20,22-25,37-40,44-46,48-51,53-54,56-60,62,65-67,69-71,73,75-77H,21,26-36H2,1-6H3,(H,63,64)/b8-7-,11-9-,12-10+,15-13+,16-14+,19-17+,20-18+/t37-,38-,39+,40+,44?,45+,46-,48-,49+,50-,51-,53-,54-,56+,57-,58-,59-,60-,61+/m0/s1 |
| InChIKey | FEVKULNVBQTTIW-MBTDHKBSSA-N |
| Mol Weight | 1139.4 g/mol |
| Molecular Formula | C61H90N2O18 |
| Exact Mass | 1138.618864 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | C7KxjH1eBis |
|---|---|
| Name | N-ACETYLPERIMYCIN-A |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C61H90N2O18 |
| InChI | InChI=1S/C61H90N2O18/c1-37-19-17-15-13-11-9-7-8-10-12-14-16-18-20-51(79-60-58(76)57(75)56(40(4)78-60)63-41(5)64)34-54-39(3)53(73)36-61(77,81-54)35-50(71)31-48(69)29-46(67)27-45(66)28-47(68)30-49(70)33-55(74)80-59(37)38(2)21-26-44(65)32-52(72)42-22-24-43(62-6)25-23-42/h7-20,22-25,37-40,44-46,48-51,53-54,56-60,62,65-67,69-71,73,75-77H,21,26-36H2,1-6H3,(H,63,64)/b8-7-,11-9-,12-10+,15-13+,16-14+,19-17+,20-18+/t37-,38-,39+,40+,44?,45+,46-,48-,49+,50-,51-,53-,54-,56+,57-,58-,59-,60-,61+/m0/s1 |
| InChIKey | FEVKULNVBQTTIW-MBTDHKBSSA-N |
| Literature Reference Author | J.PAWLAK,P.SOWINSKI,E.BOROWSKI,P.GARIBOLDI |
| Literature Reference Citation | J.ANTIBIOTICS,48,1034(1995) |
| Literature Reference DOI | 10.7164/antibiotics.48.1034 |
| Molecular Weight | 1139.388 g/mol |
| Solvent | C5D5N:CD3OD=9:1;C=20MG/ML |
| Source File Reference | UWCS25176 |