| SpectraBase Compound ID | EUGoFDxIzQ6 |
|---|---|
| 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+/m1/s1 |
| InChIKey | WUUOACSBQPHDQM-MPRPZVOOSA-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 | G5ofTLxrFQH |
|---|---|
| Name | patagonic acid |
| Copyright | Copyright © 2020-2024 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+/m1/s1 |
| InChIKey | WUUOACSBQPHDQM-MPRPZVOOSA-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 | splash10-01qi-9413000000-573bc591a8c9ae0f9ac2 |
| Source of Spectrum | X2-51-157-1 |
| Synonyms | (4aR,5S,6R,8aR)-5,6,8a-trimethyl-5-[2-(5-oxidanylidene-2H-furan-4-yl)ethyl]-3,4,4a,6,7,8-hexahydronaphthalene-1-carboxylic acid 5,6,9a-Trimethyl-5-[2'-(2''-oxo-2'',5''-furan-3''-yl)ethyl]-(decahydro)-1-naphthoic Acid (4aR,5S,6R,8aR)-5,6,8a-trimethyl-5-[2-(5-oxo-2H-furan-4-yl)ethyl]-3,4,4a,6,7,8-hexahydronaphthalene-1-carboxylic acid (4aR,5S,6R,8aR)-5-[2-(5-keto-2H-furan-4-yl)ethyl]-5,6,8a-trimethyl-3,4,4a,6,7,8-hexahydronaphthalene-1-carboxylic acid |
| Wiley ID | 1602561 |