Cinobufagin
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN-PR303591
Dataset description:
This MassBank record with Accession MSBNK-RIKEN-PR303591 contains the MS2 mass spectrum of Cinobufagin with the InChIkey SCULJPGYOQQXTK-OLRINKBESA-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/t16-,17+,18+,19-,21+,22-,23-,24+,25-,26-/m1/s1 |
|---|---|
| SMILES | CC(=O)O[C@H]1[C@H]2O[C@]22[C@@H]3CC[C@@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]2(C)[C@H]1C1=COC(=O)C=C1 |
| InChI Key | SCULJPGYOQQXTK-OLRINKBESA-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 | ed89e839-82b7-4d3b-96a7-69fc63055993 |
| Package id | msbnk-riken-pr303591 |
| Resource type | HTML |
| State | active |