Roxithromycin
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Waters-WA002469
Dataset description:
This MassBank record with Accession MSBNK-Waters-WA002469 contains the MS mass spectrum of Roxithromycin with the InChIkey RXZBMPWDPOLZGW-HEWSMUCTSA-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 | C(OC(O3)CC(OC)(C(O)C(C)3)C)(C1C)C(C(OC(CC)C(C(C(C(C(C)CC(C1OC(C2O)OC(C)CC2N(C)C)(C)O)=NOCOCCOC)C)O)(C)O)=O)C |
| InChI Key | RXZBMPWDPOLZGW-HEWSMUCTSA-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-NonCommercial 4.0 International (CC BY-NC 4.0) |
| Id | c2782c1c-2b67-4ef0-a23b-8e950a2c53f1 |
| Package id | msbnk-waters-wa002469 |
| Resource type | HTML |
| State | active |