| SpectraBase Compound ID | 2r0YqKzsjWj |
|---|---|
| InChI | InChI=1S/C42H67NO15/c1-23(2)19-32(47)56-40-27(6)53-34(22-42(40,8)50)57-37-26(5)54-41(36(49)35(37)43(9)10)58-38-29(17-18-44)20-24(3)30(46)16-14-12-13-15-25(4)52-33(48)21-31(39(38)51-11)55-28(7)45/h12-14,16,18,23-27,29,31,34-41,49-50H,15,17,19-22H2,1-11H3/b13-12-,16-14-/t24?,25?,26-,27+,29?,31?,34+,35-,36-,37-,38?,39?,40+,41+,42-/m0/s1 |
| InChIKey | ZRNXEMIDBIPJDC-DLNUUPSKSA-N |
| Mol Weight | 826.0 g/mol |
| Molecular Formula | C42H67NO15 |
| Exact Mass | 825.45107 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 634qF486LPc |
|---|---|
| Name | MAGNAMYCIN-B |
| Compound Number | 22 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C42H67NO15 |
| InChI | InChI=1S/C42H67NO15/c1-23(2)19-32(47)56-40-27(6)53-34(22-42(40,8)50)57-37-26(5)54-41(36(49)35(37)43(9)10)58-38-29(17-18-44)20-24(3)30(46)16-14-12-13-15-25(4)52-33(48)21-31(39(38)51-11)55-28(7)45/h12-14,16,18,23-27,29,31,34-41,49-50H,15,17,19-22H2,1-11H3/b13-12-,16-14-/t24?,25?,26-,27+,29?,31?,34+,35-,36-,37-,38?,39?,40+,41+,42-/m0/s1 |
| InChIKey | ZRNXEMIDBIPJDC-DLNUUPSKSA-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 | 825.992 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWCS13624 |