Rifampicin
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Washington_State_Univ-BML82086
Dataset description:
This MassBank record with Accession MSBNK-Washington_State_Univ-BML82086 contains the MS mass spectrum of Rifampicin with the InChIkey JQXXHWHPUNPDRT-WLSIYKJHSA-N.
Source: Rifampicin
Chemical Info
| InChI | InChI=1S/C43H58N4O12/c1-21-12-11-13-22(2)42(55)45-33-28(20-44-47-17-15-46(9)16-18-47)37(52)30-31(38(33)53)36(51)26(6)40-32(30)41(54)43(8,59-40)57-19-14-29(56-10)23(3)39(58-27(7)48)25(5)35(50)24(4)34(21)49/h11-14,19-21,23-25,29,34-35,39,49-53H,15-18H2,1-10H3,(H,45,55)/b12-11+,19-14+,22-13-,44-20+/t21-,23+,24+,25+,29-,34-,35+,39+,43-/m0/s1 |
|---|---|
| SMILES | C[C@H]1/C=C/C=C(C(=O)NC2=C(C(=C3C(=C2O)C(=C(C4=C3C(=O)[C@](O4)(O/C=C/[C@@H]([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@H]1O)C)O)C)OC(=O)C)C)OC)C)C)O)O)/C=N/N5CCN(CC5)C)/C |
| InChI Key | JQXXHWHPUNPDRT-WLSIYKJHSA-N |
| Molecular Formula | C43H58N4O12 |
| Exact Mass | 822.405 g/mol |
There are no views created for this resource yet.
Additional Information
| Field | Value |
|---|---|
| Data last updated | January 11, 2024 |
| Metadata last updated | January 11, 2024 |
| Created | January 11, 2024 |
| Format | HTML |
| License | Attribution-ShareAlike 4.0 International (CC BY-SA 4.0) |
| Id | 86d128c3-cfc7-4b00-81ca-e5c93e42a934 |
| Package id | msbnk-washington_state_univ-bml82086 |
| Resource type | HTML |
| State | active |