| SpectraBase Compound ID | IfCwiNgiIFH |
|---|---|
| InChI | InChI=1S/C30H50O/c1-19-11-14-27(5)17-18-29(7)21(25(27)20(19)2)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h20-25,31H,1,9-18H2,2-8H3/t20-,21+,22?,23+,24-,25-,27+,28-,29+,30+/m0/s1 |
| InChIKey | XWMMEBCFHUKHEX-JVAZJFNVSA-N |
| Mol Weight | 426.7 g/mol |
| Molecular Formula | C30H50O |
| Exact Mass | 426.386166 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | KHrJX03VH6R |
|---|---|
| Name | Pentacyclic triterpene - alcohol |
| Alternate Name(s) | Urs-20(30)-en-3.beta.-ol |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C30H50O |
| InChI | InChI=1S/C30H50O/c1-19-11-14-27(5)17-18-29(7)21(25(27)20(19)2)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h20-25,31H,1,9-18H2,2-8H3/t20-,21+,22?,23+,24-,25-,27+,28-,29+,30+/m0/s1 |
| InChIKey | XWMMEBCFHUKHEX-JVAZJFNVSA-N |
| Molecular Weight | 426.729 g/mol |
| SMILES | O[C@@]1(C(C2CC[C@]3([C@]4([C@@]([C@@]5([C@](C(=C)CC[C@@]5(CC4)C)(C)[H])[H])(CC[C@@]3([C@]2(CC1)C)[H])[H])C)C)(C)C)[H] |
| SPLASH | splash10-0a70-0593700000-bfdf9c93190aff6a9048 |
| Source of Spectrum | X4-13-51-0 |
| Wiley ID | 1585139 |