| SpectraBase Compound ID | 6QlMkFAEy2I |
|---|---|
| InChI | InChI=1S/C42H62N8O7S/c1-23(2)30-36(53)49-33(41(5,6)7)35(44-22-28(51)50-19-17-24(3)32(50)38(55)46-30)48-34(42(8,9)10)39(56)47-31(25(4)26-15-13-12-14-16-26)37(54)45-27(21-29(52)57-11)40-43-18-20-58-40/h12-16,18,20,23-25,27,30-34H,17,19,21-22H2,1-11H3,(H,44,48)(H,45,54)(H,46,55)(H,47,56)(H,49,53) |
| InChIKey | KSIZLOPUXFSFNR-UHFFFAOYSA-N |
| Mol Weight | 823.1 g/mol |
| Molecular Formula | C42H62N8O7S |
| Exact Mass | 822.446218 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 29WnJoz9b0n |
|---|---|
| Name | BOTTROMYCIN-A(2) |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C42H62N8O7S |
| InChI | InChI=1S/C42H62N8O7S/c1-23(2)30-36(53)49-33(41(5,6)7)35(44-22-28(51)50-19-17-24(3)32(50)38(55)46-30)48-34(42(8,9)10)39(56)47-31(25(4)26-15-13-12-14-16-26)37(54)45-27(21-29(52)57-11)40-43-18-20-58-40/h12-16,18,20,23-25,27,30-34H,17,19,21-22H2,1-11H3,(H,44,48)(H,45,54)(H,46,55)(H,47,56)(H,49,53) |
| InChIKey | KSIZLOPUXFSFNR-UHFFFAOYSA-N |
| Literature Reference Author | M.KANEDA |
| Literature Reference Citation | J.ANTIBIOTICS,45,792(1992) |
| Literature Reference DOI | 10.7164/antibiotics.45.792 |
| Molecular Weight | 823.064 g/mol |
| Sample ID | 45888 |
| Solvent | CDCl3 |