| SpectraBase Compound ID | 83ioN2S509z |
|---|---|
| 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 |
| InChIKey | MIJYXULNPSFWEK-GTOFXWBISA-N |
| Mol Weight | 456.7 g/mol |
| Molecular Formula | C30H48O3 |
| Exact Mass | 456.360345 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | AtdIV55dhQl |
|---|---|
| Name | 3-hydroxyolean-12-en-28-oic acid |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C30H48O3 |
| 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 |
| InChIKey | MIJYXULNPSFWEK-GTOFXWBISA-N |
| Instrument Name | Thermo Finnigan Polaris Q |
| Ionization Type | EI |
| Literature Reference DOI | 10.1002/rcm.2507 |
| Molecular Weight | 456.711 g/mol |
| SMILES | O[C@]1(CC[C@@]2([C@]3(CC=C4[C@]5([C@@](C(=O)O)(CC[C@]4([C@@]3(CC[C@]2(C1(C)C)[H])C)C)CCC(C5)(C)C)[H])[H])C)[H] |
| SPLASH | splash10-0uys-2960000000-54d5fd2b036f81b20a10 |
| Source of Spectrum | RCM-20-1790-Oleanolic acid |
| Wiley ID | 1836482 |