| SpectraBase Compound ID | Em1TLKFR30t |
|---|---|
| InChI | InChI=1S/C30H50O2/c1-19-10-15-30(18-31)17-16-28(6)21(25(30)20(19)2)8-9-23-27(5)13-12-24(32)26(3,4)22(27)11-14-29(23,28)7/h8,19-20,22-25,31-32H,9-18H2,1-7H3/t19-,20+,22+,23-,24+,25+,27+,28-,29-,30-/m1/s1 |
| InChIKey | XUARCIYIVXVTAE-ZAPOICBTSA-N |
| Mol Weight | 442.7 g/mol |
| Molecular Formula | C30H50O2 |
| Exact Mass | 442.381081 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | JHBJomLZkfY |
|---|---|
| Name | Uvaol |
| CAS Registry Number | 545-46-0 |
| Classification | Plant ingredient, pentacyclic triterpene |
| Copyright | Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass | 442.381080848 u |
| Formula | C30H50O2 |
| InChI | InChI=1S/C30H50O2/c1-19-10-15-30(18-31)17-16-28(6)21(25(30)20(19)2)8-9-23-27(5)13-12-24(32)26(3,4)22(27)11-14-29(23,28)7/h8,19-20,22-25,31-32H,9-18H2,1-7H3/t19-,20+,22+,23-,24+,25+,27+,28-,29-,30-/m1/s1 |
| InChIKey | XUARCIYIVXVTAE-ZAPOICBTSA-N |
| Ionization Type | Electron Ionization (EI) |
| Molecular Weight | 442.728 g/mol |
| Nominal Mass | 442 u |
| Quality | 997 |
| Retention Index | 3338 |
| SMILES | OC[C@]12[C@](C=3[C@]([C@]4([C@@]([C@@]5([C@](C([C@](CC5)(O)[H])(C)C)(CC4)[H])C)(CC3)[H])C)(CC1)C)([C@]([C@@](CC2)(C)[H])(C)[H])[H] |
| SPLASH | splash10-0udi-3690000000-4daf8b6626ddc762fd86 |
| Source of Spectrum | DigiLab GmbH (C) 2024 |
| Synonyms | Urs-12-ene-3beta,28-Diol |
| Technique | GC/MS |
| Wiley ID | DD2024_027581 |