![CARNEIC_ACID_B;5-[5-R-HYDROXY-2-S-(3-HYDROXY-1-METHYLPROPENYL)-1-R,2-S,4A-R,5,6,7,8-R,8A-R-OCTAHYDRONAPHTHALEN-1-YL]-PENTA-2-E,4-E-DIENOIC-ACID](/api/spectrum/D5D80zJgtEQ/structure.png?h=300&w=458 "CARNEIC_ACID_B;5-[5-R-HYDROXY-2-S-(3-HYDROXY-1-METHYLPROPENYL)-1-R,2-S,4A-R,5,6,7,8-R,8A-R-OCTAHYDRONAPHTHALEN-1-YL]-PENTA-2-E,4-E-DIENOIC-ACID")
| SpectraBase Compound ID | 896jmlNxtDZ |
|---|---|
| InChI | InChI=1S/C21H30O4/c1-13-8-9-18(23)17-12-15(3)20(14(2)10-11-22)16(21(13)17)6-4-5-7-19(24)25/h4-7,10,12-13,16-18,20-23H,8-9,11H2,1-3H3,(H,24,25)/b6-4+,7-5+,14-10+/t13-,16+,17+,18-,20+,21-/m1/s1 |
| InChIKey | YGIXVFNOSSPFLR-RYAGCBDWSA-N |
| Mol Weight | 346.47 g/mol |
| Molecular Formula | C21H30O4 |
| Exact Mass | 346.214409 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | D5D80zJgtEQ |
|---|---|
| Name | Carneic acid B |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C21H30O4 |
| InChI | InChI=1S/C21H30O4/c1-13-8-9-18(23)17-12-15(3)20(14(2)10-11-22)16(21(13)17)6-4-5-7-19(24)25/h4-7,10,12-13,16-18,20-23H,8-9,11H2,1-3H3,(H,24,25)/b6-4+,7-5+,14-10+/t13-,16+,17+,18-,20+,21-/m1/s1 |
| InChIKey | YGIXVFNOSSPFLR-RYAGCBDWSA-N |
| Molecular Weight | 346.467 g/mol |
| SMILES | OC(\C=C\C=C\[C@]1([C@@](\C(=C\CO)C)(C(=C[C@@]2([C@@]1([C@@](CC[C@]2(O)[H])(C)[H])[H])[H])C)[H])[H])=O |
| SPLASH | splash10-0a4u-5911000000-9e1eca98a960ba1d6a28 |
| Source of Spectrum | G4-69-1201-2 |
| Synonyms | (2E,4E)-5-[(1R,2R,4aS,5R,8R,8aR)-5-hydroxy-2-[(E)-4-hydroxybut-2-en-2-yl]-3,8-dimethyl-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]penta-2,4-dienoic acid (2E,4E)-5-[(1R,2R,4aS,5R,8R,8aR)-3,8-dimethyl-5-oxidanyl-2-[(E)-4-oxidanylbut-2-en-2-yl]-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]penta-2,4-dienoic acid |
| Wiley ID | 1694405 |