Lupulone
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-BS-BS003135
Dataset description:
This MassBank record with Accession MSBNK-BS-BS003135 contains the MS2 mass spectrum of Lupulone with the InChIkey WPVSVIXDXMNGGN-UHFFFAOYSA-N.
Source: Lupulone
Chemical Info
| InChI | InChI=1S/C26H38O4/c1-16(2)9-10-20-23(28)22(21(27)15-19(7)8)25(30)26(24(20)29,13-11-17(3)4)14-12-18(5)6/h9,11-12,19,28,30H,10,13-15H2,1-8H3 |
|---|---|
| SMILES | CC(C)CC(=O)C1=C(C(C(=O)C(=C1O)CC=C(C)C)(CC=C(C)C)CC=C(C)C)O |
| InChI Key | WPVSVIXDXMNGGN-UHFFFAOYSA-N |
| Molecular Formula | C26H38O4 |
| Exact Mass | 414.277 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 | d9c2901f-f84d-402a-90ef-56339134d3ad |
| Package id | msbnk-bs-bs003135 |
| Resource type | HTML |
| State | active |