| SpectraBase Compound ID | 9wKGh7UyteZ |
|---|---|
| InChI | InChI=1S/C46H72N4O9/c1-27(38(54)15-7-12-32(51)11-6-13-34(53)25-31-10-9-23-50(31)45(47)48)17-20-33(52)21-18-28(2)42(57)29(3)19-22-36-30(4)24-35-37(14-8-16-39(35)55)46(36,5)43(58)41-40(56)26-49-44(41)59/h6-7,11,15,17-18,20,24,27,29,31-39,42,51-57H,8-10,12-14,16,19,21-23,25-26H2,1-5H3,(H3,47,48)(H,49,59)/b11-6+,15-7+,20-17+,28-18+ |
| InChIKey | UAKZHUQKPSUQEQ-RUKUQFBXSA-N |
| Mol Weight | 825.1 g/mol |
| Molecular Formula | C46H72N4O9 |
| Exact Mass | 824.52993 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | J0QFGj0NHd1 |
|---|---|
| Name | TPU-0037-C;30-DEMETHYL-8-DEOXYLYDICAMYCIN |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C46H72N4O9 |
| InChI | InChI=1S/C46H72N4O9/c1-27(38(54)15-7-12-32(51)11-6-13-34(53)25-31-10-9-23-50(31)45(47)48)17-20-33(52)21-18-28(2)42(57)29(3)19-22-36-30(4)24-35-37(14-8-16-39(35)55)46(36,5)43(58)41-40(56)26-49-44(41)59/h6-7,11,15,17-18,20,24,27,29,31-39,42,51-57H,8-10,12-14,16,19,21-23,25-26H2,1-5H3,(H3,47,48)(H,49,59)/b11-6+,15-7+,20-17+,28-18+ |
| InChIKey | UAKZHUQKPSUQEQ-RUKUQFBXSA-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 | 825.099 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWSI7037 |