| SpectraBase Compound ID | JwjYODmqxrO |
|---|---|
| InChI | InChI=1S/C20H30O3/c1-12-10-20-11-13(12)5-6-14(20)18(2)7-4-8-19(3,17(22)23)15(18)9-16(20)21/h10,13-16,21H,4-9,11H2,1-3H3,(H,22,23)/t13-,14+,15+,16-,18+,19-,20+/m1/s1 |
| InChIKey | UELMXLMCUGPDGU-SZBWWIKHSA-N |
| Mol Weight | 318.46 g/mol |
| Molecular Formula | C20H30O3 |
| Exact Mass | 318.219495 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | GzCGgfKGWfS |
|---|---|
| Name | ent-7.beta.-Hydroxykaur-15-en-19-oic acid |
| Appearance | Colorless fine needles |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C20H30O3 |
| InChI | InChI=1S/C20H30O3/c1-12-10-20-11-13(12)5-6-14(20)18(2)7-4-8-19(3,17(22)23)15(18)9-16(20)21/h10,13-16,21H,4-9,11H2,1-3H3,(H,22,23)/t13-,14+,15+,16-,18+,19-,20+/m1/s1 |
| InChIKey | UELMXLMCUGPDGU-SZBWWIKHSA-N |
| Instrument Name | Hewlett-Packard 5973 |
| Ionization Type | EI positive ion |
| Literature Reference DOI | 10.1021/np030490j |
| Molecular Weight | 318.457 g/mol |
| Optical Rotation | [a]D20 = -58.2 (c = 0.146, MeOH) |
| SMILES | O[C@]1([C@]23[C@]([C@]4([C@@]([C@](C(O)=O)(CCC4)C)(C1)[H])C)(CC[C@](C2)(C(=C3)C)[H])[H])[H] |
| SPLASH | splash10-0avl-2912000000-4a58850b9c3e2d950e93 |
| Source of Spectrum | G4-67-618-5 |
| Wiley ID | 1881748 |