| SpectraBase Compound ID | 8qAlxZfQw9U |
|---|---|
| InChI | InChI=1S/C19H28O4/c1-11(8-17(22)23)15(21)10-19(5)12(2)6-7-18(4)13(3)14(20)9-16(18)19/h12-13,16H,1,6-10H2,2-5H3,(H,22,23)/t12-,13-,16+,18+,19+/m1/s1 |
| InChIKey | SBAJVJRZBWJEIA-FZGRFCFCSA-N |
| Mol Weight | 320.43 g/mol |
| Molecular Formula | C19H28O4 |
| Exact Mass | 320.198759 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 2b6HeiXPzum |
|---|---|
| Name | 3-[2-[(1S,3aR,4S,5R,7aR)-2-keto-1,4,5,7a-tetramethyl-1,3,3a,5,6,7-hexahydroinden-4-yl]acetyl]but-3-enoic acid |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C19H28O4 |
| InChI | InChI=1S/C19H28O4/c1-11(8-17(22)23)15(21)10-19(5)12(2)6-7-18(4)13(3)14(20)9-16(18)19/h12-13,16H,1,6-10H2,2-5H3,(H,22,23)/t12-,13-,16+,18+,19+/m1/s1 |
| InChIKey | SBAJVJRZBWJEIA-FZGRFCFCSA-N |
| Molecular Weight | 320.429 g/mol |
| SMILES | OC(CC(C(C[C@@]1([C@@]2([C@]([C@](C)(C(C2)=O)[H])(CC[C@]1(C)[H])C)[H])C)=O)=C)=O |
| SPLASH | splash10-0006-4900000000-cee5219880f58e854aca |
| Source of Spectrum | G4-63-1064-2 |
| Synonyms | 5-[(1S,3aR,4S,5R,7aR)-1,4,5,7a-tetramethyl-2-oxidanylidene-1,3,3a,5,6,7-hexahydroinden-4-yl]-3-methylidene-4-oxidanylidene-pentanoic acid 5-[(1S,3aR,4S,5R,7aR)-1,4,5,7a-tetramethyl-2-oxo-1,3,3a,5,6,7-hexahydroinden-4-yl]-3-methylene-4-oxo-pentanoic acid 5-[(1S,3aR,4S,5R,7aR)-1,4,5,7a-tetramethyl-2-oxo-1,3,3a,5,6,7-hexahydroinden-4-yl]-3-methylidene-4-oxopentanoic acid |
| Wiley ID | 1608550 |