Digitoxigenine
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Waters-WA002511
Dataset description:
This MassBank record with Accession MSBNK-Waters-WA002511 contains the MS mass spectrum of Digitoxigenine with the InChIkey XZTUSOXSLKTKJQ-CESUGQOBSA-N.
Source: Digitoxigenine
Chemical Info
| InChI | InChI=1S/C23H34O4/c1-21-8-5-16(24)12-15(21)3-4-19-18(21)6-9-22(2)17(7-10-23(19,22)26)14-11-20(25)27-13-14/h11,15-19,24,26H,3-10,12-13H2,1-2H3/t15-,16+,17-,18+,19-,21+,22-,23+/m1/s1 |
|---|---|
| SMILES | O=C(O5)C=C(C5)C(C4)C(C)(C3)C(O)(C4)C([H])(C1)C([H])(C3)C(C)(C2)C([H])(CC(O)C2)C1 |
| InChI Key | XZTUSOXSLKTKJQ-CESUGQOBSA-N |
| Molecular Formula | C23H34O4 |
| Exact Mass | 374.246 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 | 01a3b1be-bb9d-4ef7-98b3-301e5c261751 |
| Package id | msbnk-waters-wa002511 |
| Resource type | HTML |
| State | active |