| SpectraBase Compound ID | OYCGXIzXrM |
|---|---|
| InChI | InChI=1S/C42H67NO16/c1-21(2)16-32(47)57-40-25(6)53-34(20-42(40,8)50)58-37-24(5)54-41(36(49)35(37)43(9)10)59-38-27(14-15-44)17-22(3)28(46)12-13-29-30(56-29)18-23(4)52-33(48)19-31(39(38)51-11)55-26(7)45/h12-13,15,21-25,27,29-31,34-41,49-50H,14,16-20H2,1-11H3/b13-12-/t22?,23?,24-,25+,27?,29?,30?,31?,34+,35-,36-,37-,38?,39?,40+,41+,42-/m0/s1 |
| InChIKey | FQVHOULQCKDUCY-STOCYDIBSA-N |
| Mol Weight | 842.0 g/mol |
| Molecular Formula | C42H67NO16 |
| Exact Mass | 841.445985 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 44qLtCRVcUg |
|---|---|
| Name | MAGNAMYCIN-A |
| Compound Number | 21A |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C42H67NO16 |
| InChI | InChI=1S/C42H67NO16/c1-21(2)16-32(47)57-40-25(6)53-34(20-42(40,8)50)58-37-24(5)54-41(36(49)35(37)43(9)10)59-38-27(14-15-44)17-22(3)28(46)12-13-29-30(56-29)18-23(4)52-33(48)19-31(39(38)51-11)55-26(7)45/h12-13,15,21-25,27,29-31,34-41,49-50H,14,16-20H2,1-11H3/b13-12-/t22?,23?,24-,25+,27?,29?,30?,31?,34+,35-,36-,37-,38?,39?,40+,41+,42-/m0/s1 |
| InChIKey | FQVHOULQCKDUCY-STOCYDIBSA-N |
| Literature Reference Author | S.OMURA,A.NAKAGAWA,A.NESZMELYI,S.D.GERO,A.M.SEPULCHRE,F.PIRI OU,G.LUKACS |
| Literature Reference Citation | J.AM.CHEM.SOC.,97,4001(1975) |
| Literature Reference DOI | 10.1021/ja00847a022 |
| Molecular Weight | 841.991 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWCS13623 |