| SpectraBase Compound ID | 6upml5kO9Y5 |
|---|---|
| InChI | InChI=1S/C21H34O2/c1-14-8-9-16-20(4)12-7-11-19(2,3)15(20)10-13-21(16,5)17(14)18(22)23-6/h8,15-17H,7,9-13H2,1-6H3/t15-,16+,17-,20?,21?/m0/s1 |
| InChIKey | WEZOYKKWEAQCIT-WGWNNVQWSA-N |
| Mol Weight | 318.5 g/mol |
| Molecular Formula | C21H34O2 |
| Exact Mass | 318.25588 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 1XngGZEh0sU |
|---|---|
| Name | Methyl isoopalate |
| CAS Registry Number | 16633-29-7 |
| Comments | Less than 3 mono-isotopic peaks |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C21H34O2 |
| InChI | InChI=1S/C21H34O2/c1-14-8-9-16-20(4)12-7-11-19(2,3)15(20)10-13-21(16,5)17(14)18(22)23-6/h8,15-17H,7,9-13H2,1-6H3/t15-,16+,17-,20?,21?/m0/s1 |
| InChIKey | WEZOYKKWEAQCIT-WGWNNVQWSA-N |
| Molecular Weight | 318.501 g/mol |
| SMILES | C12([C@@](C3(CCCC([C@@]3(CC2)[H])(C)C)C)(CC=C([C@]1(C(=O)OC)[H])C)[H])C |
| SPLASH | splash10-004i-0902000000-5a3e6a866934aa2acf9a |
| Source of Spectrum | J-45-514-0 |
| Synonyms | 8,13-dimethyl-8.beta.-podocarp-12-ene-14.beta.-carboxylic acid, methyl ester methyl (14beta)-8,13-dimethylpodocarp-12-ene-14-carboxylate methyl iso-copalate [1S-(1.alpha.,4a.beta.,4b.alpha.,8a.beta.,10a.alpha.)]- 1,4,4a,4b,5,6,7,8,8a,9,10,10a-dodecahydro-2,4b,8,8,10a-pentamethyl-1-phenanthrene-carboxylic acid, methyl ester |
| Wiley ID | 1318997 |