| SpectraBase Compound ID | 404zGfRS2c0 |
|---|---|
| InChI | InChI=1S/C24H32O2/c1-6-24(14-18(5)23(25)26)20(19-10-8-7-9-11-19)13-16(3)21-15(2)12-17(4)22(21)24/h7-11,13-15,17,20-22H,6,12H2,1-5H3,(H,25,26)/b18-14+/t15-,17-,20+,21+,22-,24+/m1/s1 |
| InChIKey | NZZHSJZMHIQBPW-LUGBEJBBSA-N |
| Mol Weight | 352.5 g/mol |
| Molecular Formula | C24H32O2 |
| Exact Mass | 352.24023 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 8Q9nXgBHzvp |
|---|---|
| Name | Plakotenin |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C24H32O2 |
| InChI | InChI=1S/C24H32O2/c1-6-24(14-18(5)23(25)26)20(19-10-8-7-9-11-19)13-16(3)21-15(2)12-17(4)22(21)24/h7-11,13-15,17,20-22H,6,12H2,1-5H3,(H,25,26)/b18-14+/t15-,17-,20+,21+,22-,24+/m1/s1 |
| InChIKey | NZZHSJZMHIQBPW-LUGBEJBBSA-N |
| Molecular Weight | 352.518 g/mol |
| SMILES | OC(\C(=C\[C@@]1([C@]2([C@]([C@](C)(C[C@]2(C)[H])[H])([H])C(=C[C@]1(c1ccccc1)[H])C)[H])CC)C)=O |
| SPLASH | splash10-0096-9773000000-d1bb3a7abdf7b6c6ecc9 |
| Source of Spectrum | AT-33-2580-1 |
| Synonyms | (E)-3-[(1R,3R,3aR,4S,5S,7aR)-4-ethyl-1,3,7-trimethyl-5-phenyl-1,2,3,3a,5,7a-hexahydroinden-4-yl]-2-methyl-2-propenoic acid (E)-3-[(1R,3R,3aR,4S,5S,7aR)-4-ethyl-1,3,7-trimethyl-5-phenyl-1,2,3,3a,5,7a-hexahydroinden-4-yl]-2-methyl-acrylic acid (E)-3-[(1R,3R,3aR,4S,5S,7aR)-4-ethyl-1,3,7-trimethyl-5-phenyl-1,2,3,3a,5,7a-hexahydroinden-4-yl]-2-methyl-prop-2-enoic acid |
| Wiley ID | 836277 |