![(2R)-2-[(1R,4R,4aS,8S,8aS)-8-hydroperoxy-4,7-dimethyl-1,2,3,4,4a,5,8,8a-octahydronaphthalen-1-yl]propionic acid](/api/spectrum/FniPpTtJVNI/structure.png?h=300&w=458 "(2R)-2-[(1R,4R,4aS,8S,8aS)-8-hydroperoxy-4,7-dimethyl-1,2,3,4,4a,5,8,8a-octahydronaphthalen-1-yl]propionic acid")
| SpectraBase Compound ID | Ff5xQjoGida |
|---|---|
| InChI | InChI=1S/C15H24O4/c1-8-4-7-12(10(3)15(16)17)13-11(8)6-5-9(2)14(13)19-18/h5,8,10-14,18H,4,6-7H2,1-3H3,(H,16,17)/t8-,10-,11+,12+,13+,14-/m1/s1 |
| InChIKey | AFZWIJALMUIQKU-VUASIYQVSA-N |
| Mol Weight | 268.35 g/mol |
| Molecular Formula | C15H24O4 |
| Exact Mass | 268.167459 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | FniPpTtJVNI |
|---|---|
| Name | 5.alpha.-Hydroperoxy-amorph-3-en-12-oic acid |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C15H24O4 |
| InChI | InChI=1S/C15H24O4/c1-8-4-7-12(10(3)15(16)17)13-11(8)6-5-9(2)14(13)19-18/h5,8,10-14,18H,4,6-7H2,1-3H3,(H,16,17)/t8-,10-,11+,12+,13+,14-/m1/s1 |
| InChIKey | AFZWIJALMUIQKU-VUASIYQVSA-N |
| Molecular Weight | 268.353 g/mol |
| SMILES | OC([C@@]([C@]1([C@]2([C@](OO)(C(=CC[C@]2([C@@](CC1)(C)[H])[H])C)[H])[H])[H])(C)[H])=O |
| SPLASH | splash10-01p9-0890000000-b529d38311707be12ac3 |
| Source of Spectrum | F-55-15134-6 |
| Synonyms | (2S)-2-[(1R,4R,4aS,8S,8aS)-8-hydroperoxy-4,7-dimethyl-1,2,3,4,4a,5,8,8a-octahydro-1-naphthalenyl]propanoic acid (2R)-2-[(1R,4R,4aS,8S,8aS)-8-hydroperoxy-4,7-dimethyl-1,2,3,4,4a,5,8,8a-octahydronaphthalen-1-yl]propanoic acid (2R)-2-[(1R,4R,4aS,8S,8aS)-8-(dioxidanyl)-4,7-dimethyl-1,2,3,4,4a,5,8,8a-octahydronaphthalen-1-yl]propanoic acid |
| Wiley ID | 840347 |