| SpectraBase Compound ID | 7Aagr8JICL7 |
|---|---|
| InChI | InChI=1S/C20H32O3/c1-13-10-19-11-14(13)5-8-20(19,23)18(3)7-4-6-17(2,12-21)15(18)9-16(19)22/h14-16,21-23H,1,4-12H2,2-3H3/t14-,15-,16-,17-,18-,19-,20-/m1/s1 |
| InChIKey | XWHDYPNTMZDVJN-BQTQRSMXSA-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 | 5wa7ZDr5Hsa |
|---|---|
| Name | 7.alpha.,9.beta.,18-Trihydroxy-ent-kaur-16-ene |
| Appearance | Colorless prism |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C20H32O3 |
| InChI | InChI=1S/C20H32O3/c1-13-10-19-11-14(13)5-8-20(19,23)18(3)7-4-6-17(2,12-21)15(18)9-16(19)22/h14-16,21-23H,1,4-12H2,2-3H3/t14-,15-,16-,17-,18-,19-,20-/m1/s1 |
| InChIKey | XWHDYPNTMZDVJN-BQTQRSMXSA-N |
| Instrument Name | Micromass Autospec |
| Ionization Type | EI |
| Literature Reference DOI | 10.1021/np020420x |
| Molecular Weight | 320.473 g/mol |
| Reported Formula | C20H32O3 |
| SMILES | OC[C@]1(CCC[C@]2([C@]3([C@@]4([C@@](C[C@]12[H])(O)[H])C[C@@](CC3)(C(C4)=C)[H])O)C)C |
| SPLASH | splash10-0ab9-1910000000-04000b70b29cf8658940 |
| Source of Spectrum | G4-66-330-10 |
| Wiley ID | 1881270 |