| SpectraBase Compound ID | KKfIL7FRNb4 |
|---|---|
| InChI | InChI=1S/C40H54O2/c1-29(17-13-19-31(3)21-23-35-33(5)37(41)25-27-39(35,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-36-34(6)38(42)26-28-40(36,9)10/h11-24,37,41H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+ |
| InChIKey | RONAGRFBGGXGHB-DKLMTRRASA-N |
| Mol Weight | 566.9 g/mol |
| Molecular Formula | C40H54O2 |
| Exact Mass | 566.412381 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 2u07HidlNLM |
|---|---|
| Name | 4'-Hydroxy-.beta.,.beta.-caroten-4-one |
| Alternate Name(s) | 4-Hydroxy-.beta.,.beta.-caroten-4-one 3-((1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-(3-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl)-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaen-1-yl)-2,4,4-trimethylcyclohex-2-enone 3-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-(3-hydroxy-2,6,6-trimethyl-1-cyclohexenyl)-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-2,4,4-trimethyl-1-cyclohex-2-enone 3-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-(3-hydroxy-2,6,6-trimethylcyclohexen-1-yl)-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-2,4,4-trimethylcyclohex-2-en-1-one 2,4,4-trimethyl-3-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-(2,6,6-trimethyl-3-oxidanyl-cyclohexen-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohex-2-en-1-one |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C40H54O2 |
| InChI | InChI=1S/C40H54O2/c1-29(17-13-19-31(3)21-23-35-33(5)37(41)25-27-39(35,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-36-34(6)38(42)26-28-40(36,9)10/h11-24,37,41H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+ |
| InChIKey | RONAGRFBGGXGHB-DKLMTRRASA-N |
| Molecular Weight | 566.870 g/mol |
| SMILES | OC1C(=C(\C=C\C(=C\C=C\C(=C\C=C\C=C\(\C=C\C=C\(\C=C\C2=C(C(=O)CCC2(C)C)C)C)C)C)C)C(CC1)(C)C)C |
| SPLASH | splash10-0006-9000030000-29f7dca00efe4a9f317c |
| Source of Spectrum | F5-2-2503-21 |
| Wiley ID | 1732039 |