| SpectraBase Compound ID | JthnekpPW29 |
|---|---|
| InChI | InChI=1S/C30H50O/c1-25(2)15-16-27(5)17-18-29(7)20(21(27)19-25)9-10-23-28(6)13-12-24(31)26(3,4)22(28)11-14-30(23,29)8/h9,21-24,31H,10-19H2,1-8H3/t21-,22-,23+,24-,27+,28-,29+,30+/m0/s1 |
| InChIKey | JFSHUTJDVKUMTJ-QHPUVITPSA-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 | 8U3tmPBmxxp |
|---|---|
| Name | Beta-Amyrin |
| Alternate Name(s) | (3S,4aR,6aR,6bS,8aR,12aR,14aR,14bR)-4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-ol |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C30H50O |
| InChI | InChI=1S/C30H50O/c1-25(2)15-16-27(5)17-18-29(7)20(21(27)19-25)9-10-23-28(6)13-12-24(31)26(3,4)22(28)11-14-30(23,29)8/h9,21-24,31H,10-19H2,1-8H3/t21-,22-,23+,24-,27+,28-,29+,30+/m0/s1 |
| InChIKey | JFSHUTJDVKUMTJ-QHPUVITPSA-N |
| Molecular Weight | 426.729 g/mol |
| SMILES | O[C@@]1(C([C@@]2(CC[C@]3([C@@]4(CC[C@]5(CCC(C[C@]5(C4=CC[C@@]3([C@@]2(C)CC1)[H])[H])(C)C)C)C)C)[H])(C)C)[H] |
| SPLASH | splash10-0gb9-1190000000-2e54912f189ae658c966 |
| Source of Spectrum | RCM-22-3713-Table1,entry36 |
| Wiley ID | 1814532 |