| SpectraBase Compound ID | G7i5A1PeCId |
|---|---|
| InChI | InChI=1S/C20H30O2/c1-5-18(2)12-9-15-14(13-18)7-8-16-19(15,3)10-6-11-20(16,4)17(21)22/h5,7,15-16H,1,6,8-13H2,2-4H3,(H,21,22)/t15-,16+,18+,19+,20+/m0/s1 |
| InChIKey | MXYATHGRPJZBNA-APQLOABGSA-N |
| Mol Weight | 302.46 g/mol |
| Molecular Formula | C20H30O2 |
| Exact Mass | 302.22458 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 5eZ3wmUXmJy |
|---|---|
| Name | Isopimaric acid |
| CAS Registry Number | 5835-26-7 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C20H30O2 |
| InChI | InChI=1S/C20H30O2/c1-5-18(2)12-9-15-14(13-18)7-8-16-19(15,3)10-6-11-20(16,4)17(21)22/h5,7,15-16H,1,6,8-13H2,2-4H3,(H,21,22)/t15-,16+,18+,19+,20+/m0/s1 |
| InChIKey | MXYATHGRPJZBNA-APQLOABGSA-N |
| Molecular Weight | 302.458 g/mol |
| SMILES | OC([C@]1([C@]2([C@@]([C@@]3(C(=CC2)C[C@@](CC3)(C=C)C)[H])(CCC1)C)[H])C)=O |
| SPLASH | splash10-0k96-2793000000-23e502bbb146f195dd25 |
| Source of Spectrum | B-40-2059-0 |
| Synonyms | (1R,4aR,4bS,7R,10aR)-1,4a,7-trimethyl-7-vinyl-3,4,4b,5,6,8,10,10a-octahydro-2H-phenanthrene-1-carboxylic acid (1R,4aR,4bS,7R,10aR)-7-ethenyl-1,4a,7-trimethyl-3,4,4b,5,6,8,10,10a-octahydro-2H-phenanthrene-1-carboxylic acid 1-Phenanthrenecarboxylic acid, 7-ethenyl-1,2,3,4,4a,4b,5,6,7,8,10,10a-dodecahydro-1,4a,7-trimethyl-, (1theta-(1alpha,4abeta,4balpha,7alpha,10aalpha))- 4-epi-isopimaric acid 7,15-isopimaradien-18-oic acid |
| Wiley ID | 1305152 |