| SpectraBase Compound ID | EinzaH945Ns |
|---|---|
| InChI | InChI=1S/C43H64N8O7S/c1-24(2)30-36(54)50-32(41(4,5)6)35(45-23-28(52)51-20-18-43(10,11)34(51)39(57)47-30)49-33(42(7,8)9)38(56)48-31(25(3)26-16-14-13-15-17-26)37(55)46-27(22-29(53)58-12)40-44-19-21-59-40/h13-17,19,21,24-25,27,30-34H,18,20,22-23H2,1-12H3,(H,45,49)(H,46,55)(H,47,57)(H,48,56)(H,50,54)/t25-,27?,30+,31-,32?,33?,34-/m1/s1 |
| InChIKey | LPDKPBDXVBTVRR-ZDOGKGLNSA-N |
| Mol Weight | 837.1 g/mol |
| Molecular Formula | C43H64N8O7S |
| Exact Mass | 836.461868 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4rU2I1tlbYb |
|---|---|
| Name | BOTTROMYCIN-C2 |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C43H64N8O7S |
| InChI | InChI=1S/C43H64N8O7S/c1-24(2)30-36(54)50-32(41(4,5)6)35(45-23-28(52)51-20-18-43(10,11)34(51)39(57)47-30)49-33(42(7,8)9)38(56)48-31(25(3)26-16-14-13-15-17-26)37(55)46-27(22-29(53)58-12)40-44-19-21-59-40/h13-17,19,21,24-25,27,30-34H,18,20,22-23H2,1-12H3,(H,45,49)(H,46,55)(H,47,57)(H,48,56)(H,50,54)/t25-,27?,30+,31-,32?,33?,34-/m1/s1 |
| InChIKey | LPDKPBDXVBTVRR-ZDOGKGLNSA-N |
| Literature Reference Author | M.KANEDA |
| Literature Reference Citation | J.ANTIBIOTICS,55,924(2002) |
| Literature Reference DOI | 10.7164/antibiotics.55.924 |
| Molecular Weight | 837.091 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWSI7045 |