Digoxigenin
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Washington_State_Univ-BML81097
Dataset description:
This MassBank record with Accession MSBNK-Washington_State_Univ-BML81097 contains the MS mass spectrum of Digoxigenin with the InChIkey SHIBSTMRCDJXLN-KCZCNTNESA-N.
Source: Digoxigenin
Chemical Info
| InChI | InChI=1S/C23H34O5/c1-21-7-5-15(24)10-14(21)3-4-17-18(21)11-19(25)22(2)16(6-8-23(17,22)27)13-9-20(26)28-12-13/h9,14-19,24-25,27H,3-8,10-12H2,1-2H3/t14-,15+,16-,17-,18+,19-,21+,22+,23+/m1/s1 |
|---|---|
| SMILES | C[C@]12CC[C@@H](C[C@H]1CC[C@@H]3[C@@H]2C[C@H]([C@]4([C@@]3(CC[C@@H]4C5=CC(=O)OC5)O)C)O)O |
| InChI Key | SHIBSTMRCDJXLN-KCZCNTNESA-N |
| Molecular Formula | C23H34O5 |
| Exact Mass | 390.241 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 | 04053fa1-150a-42d1-9fde-b9094bd23caa |
| Package id | msbnk-washington_state_univ-bml81097 |
| Resource type | HTML |
| State | active |