| SpectraBase Compound ID | JaEVJ11s39a |
|---|---|
| InChI | InChI=1S/C20H30O3/c1-6-13(2)7-9-16-14(3)8-10-17-19(16,4)11-15(21)12-20(17,5)18(22)23/h6-7,15-17,21H,1,3,8-12H2,2,4-5H3,(H,22,23)/b13-7+/t15-,16+,17-,19-,20-/m1/s1 |
| InChIKey | USNLWGSHMJHWQY-FBIYPSPZSA-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 | DttEb7gQW0A |
|---|---|
| Name | 2.alpha.-Hydroxylabda-8(17),12E,14-trien-18-oic acid |
| Appearance | Colorless prisms |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C20H30O3 |
| InChI | InChI=1S/C20H30O3/c1-6-13(2)7-9-16-14(3)8-10-17-19(16,4)11-15(21)12-20(17,5)18(22)23/h6-7,15-17,21H,1,3,8-12H2,2,4-5H3,(H,22,23)/b13-7+/t15-,16+,17-,19-,20-/m1/s1 |
| InChIKey | USNLWGSHMJHWQY-FBIYPSPZSA-N |
| Instrument Name | Hewlett-Packard 5973 |
| Ionization Type | EI positive ion |
| Literature Reference DOI | 10.1021/np0680376 |
| Molecular Weight | 318.457 g/mol |
| Optical Rotation | [a]D22 = +32.5 (CHCl3/MeOH, 1:1) |
| SMILES | O[C@@]1(C[C@]2([C@]([C@](C(O)=O)(C1)C)(CCC([C@@]2(C\C=C/(C)C=C)[H])=C)[H])C)[H] |
| SPLASH | splash10-0a4i-5910000000-791933fd95bdfd4df1e8 |
| Source of Spectrum | G4-70-295-3 |
| Wiley ID | 1874428 |