Roxithromycin
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Athens_Univ-AU218510
Dataset description:
This MassBank record with Accession MSBNK-Athens_Univ-AU218510 contains the MS2 mass spectrum of Roxithromycin with the InChIkey RXZBMPWDPOLZGW-XMRMVWPWSA-N.
Source: Roxithromycin
Chemical Info
| InChI | InChI=1S/C41H76N2O15/c1-15-29-41(10,49)34(45)24(4)31(42-53-21-52-17-16-50-13)22(2)19-39(8,48)36(58-38-32(44)28(43(11)12)18-23(3)54-38)25(5)33(26(6)37(47)56-29)57-30-20-40(9,51-14)35(46)27(7)55-30/h22-30,32-36,38,44-46,48-49H,15-21H2,1-14H3/b42-31+/t22-,23-,24+,25+,26-,27+,28+,29-,30+,32-,33+,34-,35+,36-,38+,39-,40-,41-/m1/s1 |
|---|---|
| SMILES | CC[C@@H]1[C@@]([C@@H]([C@H](/C(=N/OCOCCOC)/[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)O)C)C)O)(C)O |
| InChI Key | RXZBMPWDPOLZGW-XMRMVWPWSA-N |
| Molecular Formula | C41H76N2O15 |
| Exact Mass | 836.525 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 | 3f5609a7-711b-4bc5-aa1d-b1193677d76c |
| Package id | msbnk-athens_univ-au218510 |
| Resource type | HTML |
| State | active |