| SpectraBase Compound ID | GSWhBu7r0SO |
|---|---|
| InChI | InChI=1S/C48H60O2/c1-37(19-13-21-39(3)23-15-25-41(5)27-29-43-31-45(49)35-47(7,8)33-43)17-11-12-18-38(2)20-14-22-40(4)24-16-26-42(6)28-30-44-32-46(50)36-48(9,10)34-44/h11-32H,33-36H2,1-10H3/b12-11+,19-13+,20-14+,23-15+,24-16+,29-27+,30-28+,37-17+,38-18+,39-21+,40-22+,41-25+,42-26+ |
| InChIKey | CNLBFQZFIGBVDE-PEVKEOTHSA-N |
| Mol Weight | 669.0 g/mol |
| Molecular Formula | C48H60O2 |
| Exact Mass | 668.459331 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 5WCBUlH5cJg |
|---|---|
| Name | C(48)-Isonor-canthaxanthin |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C48H60O2 |
| InChI | InChI=1S/C48H60O2/c1-37(19-13-21-39(3)23-15-25-41(5)27-29-43-31-45(49)35-47(7,8)33-43)17-11-12-18-38(2)20-14-22-40(4)24-16-26-42(6)28-30-44-32-46(50)36-48(9,10)34-44/h11-32H,33-36H2,1-10H3/b12-11+,19-13+,20-14+,23-15+,24-16+,29-27+,30-28+,37-17+,38-18+,39-21+,40-22+,41-25+,42-26+ |
| InChIKey | CNLBFQZFIGBVDE-PEVKEOTHSA-N |
| Molecular Weight | 669.006 g/mol |
| SMILES | C1(=CC(=O)CC(C1)(C)C)\C=C\C(=C\C=C\C(=C\C=C\C(=C\C=C\C=C\(\C=C\C=C\(\C=C\C=C\(\C=C\C1=CC(=O)CC(C1)(C)C)C)C)C)C)C)C |
| SPLASH | splash10-0006-9000010000-7087d953ce29a3da6b2d |
| Source of Spectrum | U-1997-1892-4 |
| Synonyms | 3-[(1E,3E,5E,7E,9E,11E,13E,15E,17E,19E,21E,23E,25E)-26-(5,5-dimethyl-3-oxo-1-cyclohexenyl)-3,7,11,16,20,24-hexamethylhexacosa-1,3,5,7,9,11,13,15,17,19,21,23,25-tridecaenyl]-5,5-dimethyl-1-cyclohex-2-enone 3-[(1E,3E,5E,7E,9E,11E,13E,15E,17E,19E,21E,23E,25E)-26-(5,5-dimethyl-3-oxocyclohexen-1-yl)-3,7,11,16,20,24-hexamethylhexacosa-1,3,5,7,9,11,13,15,17,19,21,23,25-tridecaenyl]-5,5-dimethylcyclohex-2-en-1-one 3-[(1E,3E,5E,7E,9E,11E,13E,15E,17E,19E,21E,23E,25E)-26-(5,5-dimethyl-3-oxo-cyclohexen-1-yl)-3,7,11,16,20,24-hexamethyl-hexacosa-1,3,5,7,9,11,13,15,17,19,21,23,25-tridecaenyl]-5,5-dimethyl-cyclohex-2-en-1-one 3-[(1E,3E,5E,7E,9E,11E,13E,15E,17E,19E,21E,23E,25E)-26-(5,5-dimethyl-3-oxidanylidene-cyclohexen-1-yl)-3,7,11,16,20,24-hexamethyl-hexacosa-1,3,5,7,9,11,13,15,17,19,21,23,25-tridecaenyl]-5,5-dimethyl-cyclohex-2-en-1-one |
| Wiley ID | 770023 |