Corosolic acid
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN-PR303802
Dataset description:
This MassBank record with Accession MSBNK-RIKEN-PR303802 contains the MS2 mass spectrum of Corosolic acid with the InChIkey HFGSQOYIOKBQOW-ZSDYHTTISA-N.
Source: Corosolic acid
Chemical Info
| InChI | InChI=1S/C30H48O4/c1-17-10-13-30(25(33)34)15-14-28(6)19(23(30)18(17)2)8-9-22-27(5)16-20(31)24(32)26(3,4)21(27)11-12-29(22,28)7/h8,17-18,20-24,31-32H,9-16H2,1-7H3,(H,33,34)/t17-,18+,20-,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1 |
|---|---|
| SMILES | C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C)C(O)=O |
| InChI Key | HFGSQOYIOKBQOW-ZSDYHTTISA-N |
| Molecular Formula | C30H48O4 |
| Exact Mass | 472.710 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 | b4f545a6-1eec-4296-bcb9-dd9fee520a1a |
| Package id | msbnk-riken-pr303802 |
| Resource type | HTML |
| State | active |