| SpectraBase Compound ID | LGjCJKQAU4A |
|---|---|
| InChI | InChI=1S/C23H34O5/c1-4-14(2)23(26)28-20-7-5-6-16-9-8-15(3)19(22(16)20)11-10-18-12-17(24)13-21(25)27-18/h6,8-9,14-15,17-20,22,24H,4-5,7,10-13H2,1-3H3/t14-,15-,17+,18+,19-,20-,22-/m0/s1 |
| InChIKey | AJLFOPYRIVGYMJ-INTXDZFKSA-N |
| Mol Weight | 390.5 g/mol |
| Molecular Formula | C23H34O5 |
| Exact Mass | 390.240624 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | JEsxSJi0kqG |
|---|---|
| Name | Compactin |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C23H34O5 |
| InChI | InChI=1S/C23H34O5/c1-4-14(2)23(26)28-20-7-5-6-16-9-8-15(3)19(22(16)20)11-10-18-12-17(24)13-21(25)27-18/h6,8-9,14-15,17-20,22,24H,4-5,7,10-13H2,1-3H3/t14-,15-,17+,18+,19-,20-,22-/m0/s1 |
| InChIKey | AJLFOPYRIVGYMJ-INTXDZFKSA-N |
| Molecular Weight | 390.520 g/mol |
| SMILES | O[C@]1(CC(O[C@](CC[C@@]2([C@]3([C@@](OC(=O)[C@](CC)(C)[H])(CCC=C3C=C[C@@]2(C)[H])[H])[H])[H])(C1)[H])=O)[H] |
| SPLASH | splash10-0a5a-1900000000-d4185f4e5fc818a1c281 |
| Source of Spectrum | KC-0-782-1 |
| Synonyms | (2S)-2-methylbutanoic acid [(1S,7S,8S,8aR)-8-[2-[(2R,4R)-4-hydroxy-6-oxo-2-oxanyl]ethyl]-7-methyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] ester [(1S,7S,8S,8aR)-8-[2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-7-methyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] (2S)-2-methylbutanoate [(1S,7S,8S,8aR)-8-[2-[(2R,4R)-4-hydroxy-6-oxo-tetrahydropyran-2-yl]ethyl]-7-methyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] (2S)-2-methylbutanoate [(1S,7S,8S,8aR)-7-methyl-8-[2-[(2R,4R)-4-oxidanyl-6-oxidanylidene-oxan-2-yl]ethyl]-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] (2S)-2-methylbutanoate |
| Wiley ID | 783394 |