Tylosin
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Athens_Univ-AU251905
Dataset description:
This MassBank record with Accession MSBNK-Athens_Univ-AU251905 contains the MS2 mass spectrum of Tylosin with the InChIkey WBPYTXDJUQJLPQ-VMXQISHHSA-N.
Source: Tylosin
Chemical Info
| InChI | InChI=1S/C46H77NO17/c1-13-33-30(22-58-45-42(57-12)41(56-11)37(52)26(5)60-45)18-23(2)14-15-31(49)24(3)19-29(16-17-48)39(25(4)32(50)20-34(51)62-33)64-44-38(53)36(47(9)10)40(27(6)61-44)63-35-21-46(8,55)43(54)28(7)59-35/h14-15,17-18,24-30,32-33,35-45,50,52-55H,13,16,19-22H2,1-12H3/b15-14+,23-18+/t24-,25+,26-,27-,28+,29+,30-,32-,33-,35+,36-,37-,38-,39-,40-,41-,42-,43+,44+,45-,46-/m1/s1 |
|---|---|
| SMILES | CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O[C@H]3C[C@@](C)(O)[C@@H](O)[C@H](C)O3)[C@@H]([C@H]2O)N(C)C)[C@@H](CC=O)C[C@@H](C)C(=O)\C=C\C(\C)=C\[C@@H]1CO[C@@H]1O[C@H](C)[C@@H](O)[C@@H](OC)[C@H]1OC |
| InChI Key | WBPYTXDJUQJLPQ-VMXQISHHSA-N |
| Molecular Formula | C46H77NO17 |
| Exact Mass | 915.519 g/mol |
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Additional Information
| Field | Value |
|---|---|
| Data last updated | January 11, 2024 |
| Metadata last updated | January 11, 2024 |
| Created | January 11, 2024 |
| Format | HTML |
| License | Attribution 4.0 International (CC BY 4.0) |
| Id | 9ed8740b-51f8-4a83-9634-764673a496f5 |
| Package id | msbnk-athens_univ-au251905 |
| Resource type | HTML |
| State | active |