| SpectraBase Compound ID | 7DF1R0GagOQ |
|---|---|
| InChI | InChI=1S/C30H50O/c1-25(2)17-18-27(5)13-9-21-29(7)14-10-20-26(3,4)24(31)12-16-28(20,6)22(29)11-15-30(21,8)23(27)19-25/h9,20,22-24,31H,10-19H2,1-8H3/t20-,22+,23+,24-,27-,28-,29-,30+/m0/s1 |
| InChIKey | GGGUGZHBAOMSFJ-GADYQYKKSA-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 | 7BVHoRGONe0 |
|---|---|
| Name | Taraxerol |
| Alternate Name(s) | (3S,4aR,6aR,8aR,12aR,12bS,14aR,14bR)-4,4,6a,8a,11,11,12b,14b-octamethyl-1,2,3,4,4a,5,6,6a,8,8a,9,10,11,12,12a,12b,13,14,14a,14b-icosahydropicen-3-ol |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C30H50O |
| InChI | InChI=1S/C30H50O/c1-25(2)17-18-27(5)13-9-21-29(7)14-10-20-26(3,4)24(31)12-16-28(20,6)22(29)11-15-30(21,8)23(27)19-25/h9,20,22-24,31H,10-19H2,1-8H3/t20-,22+,23+,24-,27-,28-,29-,30+/m0/s1 |
| InChIKey | GGGUGZHBAOMSFJ-GADYQYKKSA-N |
| Molecular Weight | 426.729 g/mol |
| SMILES | O[C@@]1(C([C@]2([C@@]([C@@]3([C@](C=4[C@]([C@]5([C@@](CC4)(CCC(C5)(C)C)C)[H])(CC3)C)(CC2)C)[H])(CC1)C)[H])(C)C)[H] |
| SPLASH | splash10-0udi-0393400000-66f6461d9cfe50048ed5 |
| Source of Spectrum | QA-51-634-13 |
| Wiley ID | 1797763 |