Oleanolic acid
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Fiocruz-FIO01061
Dataset description:
This MassBank record with Accession MSBNK-Fiocruz-FIO01061 contains the MS2 mass spectrum of Oleanolic acid with the InChIkey MIJYXULNPSFWEK-GTOFXWBISA-N.
Source: Oleanolic acid
Chemical Info
| InChI | InChI=1S/C30H48O3/c1-25(2)14-16-30(24(32)33)17-15-28(6)19(20(30)18-25)8-9-22-27(5)12-11-23(31)26(3,4)21(27)10-13-29(22,28)7/h8,20-23,31H,9-18H2,1-7H3,(H,32,33)/t20-,21-,22+,23-,27-,28+,29+,30-/m0/s1 |
|---|---|
| SMILES | CC(C)(C5([H])1)C(CCC(C)1C(C4(C)CC5)(CC=C(C4(C)3)C(C(CC3)2C(O)=O)([H])CC(C)(C)CC2)[H])O |
| InChI Key | MIJYXULNPSFWEK-GTOFXWBISA-N |
| Molecular Formula | C30H48O3 |
| Exact Mass | 456.360 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 | e222ebdf-1c7c-4447-80b9-bb66f5e41740 |
| Package id | msbnk-fiocruz-fio01061 |
| Resource type | HTML |
| State | active |