| SpectraBase Compound ID | vgljZn6LlU |
|---|---|
| InChI | InChI=1S/C20H28O4/c1-12(11-21)13-4-6-15-14(10-13)5-7-16-19(2,18(23)24)9-8-17(22)20(15,16)3/h4,6,10,12,16-17,21-22H,5,7-9,11H2,1-3H3,(H,23,24)/t12?,16-,17+,19+,20+/m0/s1 |
| InChIKey | OGBYCVTZTZCJCF-QQJWSKILSA-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 | 3TaWL5jE6C |
|---|---|
| Name | 1.beta., 16-Dihydroxy-dehydroabietic Acid |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C20H28O4 |
| InChI | InChI=1S/C20H28O4/c1-12(11-21)13-4-6-15-14(10-13)5-7-16-19(2,18(23)24)9-8-17(22)20(15,16)3/h4,6,10,12,16-17,21-22H,5,7-9,11H2,1-3H3,(H,23,24)/t12?,16-,17+,19+,20+/m0/s1 |
| InChIKey | OGBYCVTZTZCJCF-QQJWSKILSA-N |
| Molecular Weight | 332.440 g/mol |
| SMILES | OC([C@]1([C@]2([C@]([C@@](CC1)(O)[H])(c1c(CC2)cc(cc1)C(CO)C)C)[H])C)=O |
| SPLASH | splash10-0f8c-1709000000-443da2f74a9937879315 |
| Source of Spectrum | G4-70-158-5 |
| Wiley ID | 1694906 |