| SpectraBase Compound ID | 3Dmz28SfYon |
|---|---|
| InChI | InChI=1S/C30H50O3/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/h18-24,31H,8-17H2,1-7H3,(H,32,33)/t18-,19+,20?,21+,22-,23+,24-,27+,28-,29-,30+/m1/s1 |
| InChIKey | USGWNZHHTABDDB-GKXADMCDSA-N |
| Mol Weight | 458.7 g/mol |
| Molecular Formula | C30H50O3 |
| Exact Mass | 458.375995 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 3ACxkFInenL |
|---|---|
| Name | Ursolic acid |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C30H50O3 |
| InChI | InChI=1S/C30H50O3/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/h18-24,31H,8-17H2,1-7H3,(H,32,33)/t18-,19+,20?,21+,22-,23+,24-,27+,28-,29-,30+/m1/s1 |
| InChIKey | USGWNZHHTABDDB-GKXADMCDSA-N |
| Instrument Name | JMS DX-303 |
| Ionization Type | EI |
| Literature Reference DOI | 10.1021/np020577p |
| Molecular Weight | 458.727 g/mol |
| SMILES | O[C@]1(CC[C@@]2([C@]3(CCC4[C@@]5([C@@](C(O)=O)(CC[C@]4([C@@]3(CC[C@]2(C1(C)C)[H])C)C)CC[C@]([C@@]5(C)[H])(C)[H])[H])[H])C)[H] |
| SPLASH | splash10-0f6t-5790000000-e01f9f4b8ec48b5ab629 |
| Source of Spectrum | G4-66-SM20-3 |
| Wiley ID | 1881403 |