Ursolic acid
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-BS-BS003172
Dataset description:
This MassBank record with Accession MSBNK-BS-BS003172 contains the MS2 mass spectrum of Ursolic acid with the InChIkey WCGUUGGRBIKTOS-GPOJBZKASA-N.
Source: Ursolic acid
Chemical Info
| InChI | InChI=1S/C30H48O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1 |
|---|---|
| SMILES | C([C@]1([H])C(C([C@@]2(C(C([C@@]3(C(=C(C([C@@]4([H])[C@]3(C(C([C@]5([H])[C@@]4(C(C([C@@]([H])(C5(C([H])([H])[H])C([H])([H])[H])O[H])([H])[H])([H])[H])C([H])([H])[H])([H])[H])([H])[H])C([H])([H])[H])([H])[H])[H])[C@]2([H])[C@@]1([H])C([H])([H])[H])C([H])([H])[H])([H])[H])([H])[H])C(=O)O[H])([H])[H])([H])[H])([H])([H])[H] |
| InChI Key | WCGUUGGRBIKTOS-GPOJBZKASA-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-NonCommercial-ShareAlike 4.0 International (CC BY-NC-SA 4.0) |
| Id | 6b94f98b-7e04-4d1e-9f72-5ea472b34232 |
| Package id | msbnk-bs-bs003172 |
| Resource type | HTML |
| State | active |