Canrenone
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Athens_Univ-AU239403
Dataset description:
This MassBank record with Accession MSBNK-Athens_Univ-AU239403 contains the MS2 mass spectrum of Canrenone with the InChIkey UJVLDDZCTMKXJK-AFDHUMPMSA-N.
Source: Canrenone
Chemical Info
| InChI | InChI=1S/C22H28O3/c1-20-9-5-15(23)13-14(20)3-4-16-17(20)6-10-21(2)18(16)7-11-22(21)12-8-19(24)25-22/h3-4,13,16-18H,5-12H2,1-2H3/t16?,17-,18-,20?,21?,22?/m0/s1 |
|---|---|
| SMILES | CC12CC[C@H]3C(C=CC4=CC(=O)CCC34C)[C@@H]1CCC21CCC(=O)O1 |
| InChI Key | UJVLDDZCTMKXJK-AFDHUMPMSA-N |
| Molecular Formula | C22H28O3 |
| Exact Mass | 340.204 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 4.0 International (CC BY 4.0) |
| Id | ec4b3960-72e0-46f3-9fb9-00d90f9cad9c |
| Package id | msbnk-athens_univ-au239403 |
| Resource type | HTML |
| State | active |