| SpectraBase Compound ID | BQPvVqjw6kY |
|---|---|
| InChI | InChI=1S/C15H26O3/c1-8-11-5-10(15(3,4)18)6-13(16)9(2)12(11)7-14(8)17/h8-10,13-14,16-18H,5-7H2,1-4H3/t8-,9-,10+,13-,14+/m1/s1 |
| InChIKey | VPONRBCWXRWGGK-BZROYUPASA-N |
| Mol Weight | 254.37 g/mol |
| Molecular Formula | C15H26O3 |
| Exact Mass | 254.188195 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 2zhlaSBjsUY |
|---|---|
| Name | 1(5)-guaiene-3.beta.,9.alpha.,11-triol |
| Alternate Name(s) | 3,8-Dimethyl-5-(.alpha.-hydroxyisopropyl)-2,7-dihydroxy-perhydro-.delta.-3a(8a)-azulene (1R,2S,4R,5R,7S)-7-(2-hydroxypropan-2-yl)-1,4-dimethyl-1,2,3,4,5,6,7,8-octahydroazulene-2,5-diol (1R,2S,4R,5R,7S)-1,4-dimethyl-7-(2-oxidanylpropan-2-yl)-1,2,3,4,5,6,7,8-octahydroazulene-2,5-diol |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C15H26O3 |
| InChI | InChI=1S/C15H26O3/c1-8-11-5-10(15(3,4)18)6-13(16)9(2)12(11)7-14(8)17/h8-10,13-14,16-18H,5-7H2,1-4H3/t8-,9-,10+,13-,14+/m1/s1 |
| InChIKey | VPONRBCWXRWGGK-BZROYUPASA-N |
| Molecular Weight | 254.370 g/mol |
| SMILES | O[C@]1(CC2=C(C[C@](C(O)(C)C)(C[C@]([C@@]2(C)[H])(O)[H])[H])[C@]1(C)[H])[H] |
| SPLASH | splash10-0a4i-2920000000-c083d94873fc224712f8 |
| Source of Spectrum | G4-70-852-4 |
| Wiley ID | 1694698 |