Digoxin
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Washington_State_Univ-BML81103
Dataset description:
This MassBank record with Accession MSBNK-Washington_State_Univ-BML81103 contains the MS mass spectrum of Digoxin with the InChIkey LTMHDMANZUZIPE-UHFFFAOYSA-N.
Source: Digoxin
Chemical Info
| InChI | InChI=1S/C41H64O14/c1-19-36(47)28(42)15-34(50-19)54-38-21(3)52-35(17-30(38)44)55-37-20(2)51-33(16-29(37)43)53-24-8-10-39(4)23(13-24)6-7-26-27(39)14-31(45)40(5)25(9-11-41(26,40)48)22-12-32(46)49-18-22/h12,19-21,23-31,33-38,42-45,47-48H,6-11,13-18H2,1-5H3 |
|---|---|
| SMILES | CC1C(C(CC(O1)OC2C(OC(CC2O)OC3C(OC(CC3O)OC4CCC5(C(C4)CCC6C5CC(C7(C6(CCC7C8=CC(=O)OC8)O)C)O)C)C)C)O)O |
| InChI Key | LTMHDMANZUZIPE-UHFFFAOYSA-N |
| Molecular Formula | C41H64O14 |
| Exact Mass | 780.430 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-ShareAlike 4.0 International (CC BY-SA 4.0) |
| Id | 6c220c12-4bb7-400c-b60a-f5ee8ccb2c87 |
| Package id | msbnk-washington_state_univ-bml81103 |
| Resource type | HTML |
| State | active |