| SpectraBase Compound ID | IY3WuLaRYsV |
|---|---|
| InChI | InChI=1S/C20H28O4/c1-13-7-10-20(3)15(17(21)22)5-4-6-16(20)19(13,2)11-8-14-9-12-24-18(14)23/h5,9,13,16H,4,6-8,10-12H2,1-3H3,(H,21,22)/t13-,16-,19+,20+/m0/s1 |
| InChIKey | WUUOACSBQPHDQM-DYLQCGAMSA-N |
| Mol Weight | 332.44 g/mol |
| Molecular Formula | C20H28O4 |
| Exact Mass | 332.198759 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | JtcdrgAmHwj |
|---|---|
| Name | (+)-3,13-Clerodadiene-16,15-olid-18-oic acid |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C20H28O4 |
| InChI | InChI=1S/C20H28O4/c1-13-7-10-20(3)15(17(21)22)5-4-6-16(20)19(13,2)11-8-14-9-12-24-18(14)23/h5,9,13,16H,4,6-8,10-12H2,1-3H3,(H,21,22)/t13-,16-,19+,20+/m0/s1 |
| InChIKey | WUUOACSBQPHDQM-DYLQCGAMSA-N |
| Molecular Weight | 332.440 g/mol |
| SMILES | OC(C=1[C@@]2([C@]([C@@](CCC=3C(OCC3)=O)(C)[C@](CC2)(C)[H])(CCC1)[H])C)=O |
| SPLASH | splash10-01t9-0948000000-140a575553064c549771 |
| Source of Spectrum | E1-42-1206-4 |
| Wiley ID | 1552682 |