Cinobufagin
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN-PR307461
Dataset description:
This MassBank record with Accession MSBNK-RIKEN-PR307461 contains the MS2 mass spectrum of Cinobufagin with the InChIkey SCULJPGYOQQXTK-UHFFFAOYSA-N.
Source: Cinobufagin
Chemical Info
| InChI | InChI=1S/C26H34O6/c1-14(27)31-22-21(15-4-7-20(29)30-13-15)25(3)11-9-18-19(26(25)23(22)32-26)6-5-16-12-17(28)8-10-24(16,18)2/h4,7,13,16-19,21-23,28H,5-6,8-12H2,1-3H3 |
|---|---|
| SMILES | CC(=O)OC1C2OC22C3CCC4CC(O)CCC4(C)C3CCC2(C)C1C1=COC(=O)C=C1 |
| InChI Key | SCULJPGYOQQXTK-UHFFFAOYSA-N |
| Molecular Formula | C26H34O6 |
| Exact Mass | 442.552 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-ShareAlike 4.0 International (CC BY-NC-SA 4.0) |
| Id | 4b648ee3-0fdd-486f-952b-18e750e8926e |
| Package id | msbnk-riken-pr307461 |
| Resource type | HTML |
| State | active |