![#1;CARNEIC_ACID_A;5-[5-R-HYDROXY-3,8-R-DIMETHYL-2-S-(1-METHYLPROPENYL)-1-R,2-S,4A-R,5,6,7,8-R,8A-R-HYDRONAPHTHALEN-1-YL]-PENTA-2E,4E-DIENOIC-ACID](/api/spectrum/IU0rDQbxoED/structure.png?h=300&w=458 "#1;CARNEIC_ACID_A;5-[5-R-HYDROXY-3,8-R-DIMETHYL-2-S-(1-METHYLPROPENYL)-1-R,2-S,4A-R,5,6,7,8-R,8A-R-HYDRONAPHTHALEN-1-YL]-PENTA-2E,4E-DIENOIC-ACID")
| SpectraBase Compound ID | FSreebeWN5T |
|---|---|
| InChI | InChI=1S/C21H30O3/c1-5-13(2)20-15(4)12-17-18(22)11-10-14(3)21(17)16(20)8-6-7-9-19(23)24/h5-9,12,14,16-18,20-22H,10-11H2,1-4H3,(H,23,24)/b8-6+,9-7+,13-5+/t14-,16+,17+,18-,20+,21-/m1/s1 |
| InChIKey | KNDPLJZJPQWOMQ-XLSWVBTGSA-N |
| Mol Weight | 330.47 g/mol |
| Molecular Formula | C21H30O3 |
| Exact Mass | 330.219495 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | IU0rDQbxoED |
|---|---|
| Name | Carneic acid A |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C21H30O3 |
| InChI | InChI=1S/C21H30O3/c1-5-13(2)20-15(4)12-17-18(22)11-10-14(3)21(17)16(20)8-6-7-9-19(23)24/h5-9,12,14,16-18,20-22H,10-11H2,1-4H3,(H,23,24)/b8-6+,9-7+,13-5+/t14-,16+,17+,18-,20+,21-/m1/s1 |
| InChIKey | KNDPLJZJPQWOMQ-XLSWVBTGSA-N |
| Molecular Weight | 330.468 g/mol |
| SMILES | OC(\C=C\C=C\[C@]1([C@](C(=C[C@]2([C@@](CC[C@]([C@]12[H])(C)[H])(O)[H])[H])C)(\C(=C\C)C)[H])[H])=O |
| SPLASH | splash10-00lr-3903000000-526815b1fd49a5bbadaf |
| Source of Spectrum | G4-69-1201-1 |
| Synonyms | (2E,4E)-5-[(1R,2S,4aS,5R,8R,8aR)-2-[(E)-but-2-en-2-yl]-5-hydroxy-3,8-dimethyl-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]penta-2,4-dienoic acid (2E,4E)-5-[(1R,2S,4aS,5R,8R,8aR)-2-[(E)-but-2-en-2-yl]-3,8-dimethyl-5-oxidanyl-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]penta-2,4-dienoic acid |
| Wiley ID | 1694406 |