| SpectraBase Compound ID | XugtWmAgrM |
|---|---|
| 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-HRHSKJIBSA-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 | Jb2roL8SiW8 |
|---|---|
| Name | Magnamycin |
| CAS Registry Number | 4564-87-8 |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. 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-HRHSKJIBSA-N |
| Instrument Name | Bruker HX-90 |
| Literature Reference | S. Omura, A. Nakagawa, A. Neszmelyi, J. Am. Chem. Soc. 97, 4001 (1975). |
| NMR Standard | TMS |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | CDCl3 |