Bufalin
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN-PR303621
Dataset description:
This MassBank record with Accession MSBNK-RIKEN-PR303621 contains the MS2 mass spectrum of Bufalin with the InChIkey QEEBRPGZBVVINN-BMPKRDENSA-N.
Source: Bufalin
Chemical Info
| InChI | InChI=1S/C24H34O4/c1-22-10-7-17(25)13-16(22)4-5-20-19(22)8-11-23(2)18(9-12-24(20,23)27)15-3-6-21(26)28-14-15/h3,6,14,16-20,25,27H,4-5,7-13H2,1-2H3/t16-,17+,18-,19+,20-,22+,23-,24+/m1/s1 |
|---|---|
| SMILES | C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@@H](O)CC[C@]34C)[C@@]1(O)CC[C@@H]2C1=COC(=O)C=C1 |
| InChI Key | QEEBRPGZBVVINN-BMPKRDENSA-N |
| Molecular Formula | C24H34O4 |
| Exact Mass | 386.532 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 | 2e6ce037-2c91-4794-bebc-2ed53a5fc933 |
| Package id | msbnk-riken-pr303621 |
| Resource type | HTML |
| State | active |