| SpectraBase Compound ID | JJAThDBf9iU |
|---|---|
| InChI | InChI=1S/C47H72N4O9/c1-27(38(54)12-8-13-39(55)28(2)16-21-34(53)25-32-10-9-23-51(32)46(48)49)15-19-33(52)20-17-29(3)43(58)30(4)18-22-36-31(5)24-35-37(11-7-14-40(35)56)47(36,6)44(59)42-41(57)26-50-45(42)60/h8,12,15-19,22,24,27,30,32-40,43,52-58H,7,9-11,13-14,20-21,23,25-26H2,1-6H3,(H3,48,49)(H,50,60)/b12-8+,19-15+,22-18+,28-16+,29-17+ |
| InChIKey | ZORGDBRAPKCSFT-FBVKZSOUSA-N |
| Mol Weight | 837.1 g/mol |
| Molecular Formula | C47H72N4O9 |
| Exact Mass | 836.52993 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3bsLgYzBhHR |
|---|---|
| Name | TPU-0037-B;14,15-DEHYDRO-8-DEOXYLYDICAMYCIN |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C47H72N4O9 |
| InChI | InChI=1S/C47H72N4O9/c1-27(38(54)12-8-13-39(55)28(2)16-21-34(53)25-32-10-9-23-51(32)46(48)49)15-19-33(52)20-17-29(3)43(58)30(4)18-22-36-31(5)24-35-37(11-7-14-40(35)56)47(36,6)44(59)42-41(57)26-50-45(42)60/h8,12,15-19,22,24,27,30,32-40,43,52-58H,7,9-11,13-14,20-21,23,25-26H2,1-6H3,(H3,48,49)(H,50,60)/b12-8+,19-15+,22-18+,28-16+,29-17+ |
| InChIKey | ZORGDBRAPKCSFT-FBVKZSOUSA-N |
| Literature Reference Author | T.FURUMAI,K.ETO,T.SASAKI,H.HIGUCHI,H.ONAKA,N.SAITO,T.FUJITA, H.NAOKI,Y.IGARASHI |
| Literature Reference Citation | J.ANTIBIOTICS,55,873(2002) |
| Literature Reference DOI | 10.7164/antibiotics.55.873 |
| Molecular Weight | 837.110 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWSI7036 |