Clarithromycin
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Athens_Univ-AU105310
Dataset description:
This MassBank record with Accession MSBNK-Athens_Univ-AU105310 contains the MS2 mass spectrum of Clarithromycin with the InChIkey AGOYDEPGAOXOCK-KCBOHYOISA-N.
Source: Clarithromycin
Chemical Info
| InChI | InChI=1S/C38H69NO13/c1-15-26-38(10,45)31(42)21(4)28(40)19(2)17-37(9,47-14)33(52-35-29(41)25(39(11)12)16-20(3)48-35)22(5)30(23(6)34(44)50-26)51-27-18-36(8,46-13)32(43)24(7)49-27/h19-27,29-33,35,41-43,45H,15-18H2,1-14H3/t19-,20-,21+,22+,23-,24+,25+,26-,27+,29-,30+,31-,32+,33-,35+,36-,37-,38-/m1/s1 |
|---|---|
| SMILES | CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@@](C)(C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O)OC |
| InChI Key | AGOYDEPGAOXOCK-KCBOHYOISA-N |
| Molecular Formula | C38H69NO13 |
| Exact Mass | 747.477 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 | 0077deed-7b7c-460d-b87f-bfb2675e41f1 |
| Package id | msbnk-athens_univ-au105310 |
| Resource type | HTML |
| State | active |