| SpectraBase Compound ID | 4WUGyxrK5VD |
|---|---|
| InChI | InChI=1S/C43H69NO12/c1-10-30-18-24(2)17-25(3)19-36(53-8)39-37(54-9)21-27(5)43(51,56-39)40(48)41(49)44-16-12-11-13-31(44)42(50)55-38(28(6)33(46)23-34(30)47)26(4)20-29-14-15-32(45)35(22-29)52-7/h18,20,25,27-33,35-39,45-46,51H,10-17,19,21-23H2,1-9H3/b24-18+,26-20+ |
| InChIKey | ZDQSOHOQTUFQEM-AMASXYNMSA-N |
| Mol Weight | 792.0 g/mol |
| Molecular Formula | C43H69NO12 |
| Exact Mass | 791.481977 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1AZLh5yhbtg |
|---|---|
| Name | ASCOMYCIN |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C43H69NO12 |
| InChI | InChI=1S/C43H69NO12/c1-10-30-18-24(2)17-25(3)19-36(53-8)39-37(54-9)21-27(5)43(51,56-39)40(48)41(49)44-16-12-11-13-31(44)42(50)55-38(28(6)33(46)23-34(30)47)26(4)20-29-14-15-32(45)35(22-29)52-7/h18,20,25,27-33,35-39,45-46,51H,10-17,19,21-23H2,1-9H3/b24-18+,26-20+ |
| InChIKey | ZDQSOHOQTUFQEM-AMASXYNMSA-N |
| Literature Reference Author | J.JUNKER,W.MAIER,T.LINDEL,M.KOECK |
| Literature Reference Citation | ORG.LETTERS,1,737(1999) |
| Literature Reference DOI | 10.1021/ol990725b |
| Molecular Weight | 792.020 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWSI26273 |