| SpectraBase Compound ID | 42Hy6nR6qFK |
|---|---|
| InChI | InChI=1S/C20H30O4/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/h5,13-14,16H,4,6-12H2,1-3H3,(H,21,22)/t13-,14?,16-,19+,20+/m1/s1 |
| InChIKey | KLTOIXCFCZRIFD-BBOKRCSFSA-N |
| Mol Weight | 334.46 g/mol |
| Molecular Formula | C20H30O4 |
| Exact Mass | 334.214409 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | AnBuGwKDqOP |
|---|---|
| Name | Ballotenic acid |
| Alternate Name(s) | (4aR,5S,6R,8aR)-5,6,8a-trimethyl-5-[2-(2-oxo-3-oxolanyl)ethyl]-3,4,4a,6,7,8-hexahydronaphthalene-1-carboxylic acid (4aR,5S,6R,8aR)-5,6,8a-trimethyl-5-[2-(2-oxooxolan-3-yl)ethyl]-3,4,4a,6,7,8-hexahydronaphthalene-1-carboxylic acid (4aR,5S,6R,8aR)-5,6,8a-trimethyl-5-[2-(2-oxotetrahydrofuran-3-yl)ethyl]-3,4,4a,6,7,8-hexahydronaphthalene-1-carboxylic acid (4aR,5S,6R,8aR)-5,6,8a-trimethyl-5-[2-(2-oxidanylideneoxolan-3-yl)ethyl]-3,4,4a,6,7,8-hexahydronaphthalene-1-carboxylic acid |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C20H30O4 |
| InChI | InChI=1S/C20H30O4/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/h5,13-14,16H,4,6-12H2,1-3H3,(H,21,22)/t13-,14?,16-,19+,20+/m1/s1 |
| InChIKey | KLTOIXCFCZRIFD-BBOKRCSFSA-N |
| Molecular Weight | 334.456 g/mol |
| SMILES | OC(C=1[C@]2([C@@]([C@@](CCC3C(OCC3)=O)([C@](C)(CC2)[H])C)(CCC1)[H])C)=O |
| SPLASH | splash10-014i-0129000000-e72e5abf868b38ed8a37 |
| Source of Spectrum | E2-52-443-1 |
| Wiley ID | 1556429 |