| SpectraBase Compound ID | 3LeYKckqGTp |
|---|---|
| InChI | InChI=1S/C20H32O3/c1-12-13-5-6-14-19(3)8-4-7-18(2,11-21)15(19)9-16(22)20(14,10-13)17(12)23/h13-17,21-23H,1,4-11H2,2-3H3/t13-,14+,15-,16-,17+,18-,19+,20-/m1/s1 |
| InChIKey | SMJRKTGCQAVGTN-SSKHUGDLSA-N |
| Mol Weight | 320.5 g/mol |
| Molecular Formula | C20H32O3 |
| Exact Mass | 320.235145 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 6AliXYBr86u |
|---|---|
| Name | 7.alpha.,15.alpha.,18-trihydroxy-ent-kaur-16-ene |
| Alternate Name(s) | Canditriol |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C20H32O3 |
| InChI | InChI=1S/C20H32O3/c1-12-13-5-6-14-19(3)8-4-7-18(2,11-21)15(19)9-16(22)20(14,10-13)17(12)23/h13-17,21-23H,1,4-11H2,2-3H3/t13-,14+,15-,16-,17+,18-,19+,20-/m1/s1 |
| InChIKey | SMJRKTGCQAVGTN-SSKHUGDLSA-N |
| Instrument Name | Micromass Autospec |
| Ionization Type | EI |
| Literature Reference DOI | 10.1021/np020420x |
| Molecular Weight | 320.473 g/mol |
| SMILES | OC[C@]1(CCC[C@]2([C@]3([C@@]4([C@](C([C@](CC3)(C4)[H])=C)(O)[H])[C@@](C[C@]12[H])(O)[H])[H])C)C |
| SPLASH | splash10-00di-0964000000-56e8701e3e14971d2e9d |
| Source of Spectrum | G4-66-330-11 |
| Wiley ID | 1881271 |