| SpectraBase Compound ID | 3EejA2mLk8u |
|---|---|
| InChI | InChI=1S/C48H60O4/c1-35(19-13-21-37(3)23-15-25-39(5)27-29-41-31-43(49)45(51)47(7,8)33-41)17-11-12-18-36(2)20-14-22-38(4)24-16-26-40(6)28-30-42-32-44(50)46(52)48(9,10)34-42/h11-32,45-46,51-52H,33-34H2,1-10H3/b12-11+,19-13+,20-14+,23-15+,24-16+,29-27+,30-28+,35-17+,36-18+,37-21+,38-22+,39-25+,40-26+ |
| InChIKey | NOIVHYRVYHDJBW-JUGWPEGCSA-N |
| Mol Weight | 701.0 g/mol |
| Molecular Formula | C48H60O4 |
| Exact Mass | 700.44916 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | AT3IAjUWtz3 |
|---|---|
| Name | C(48)-Isonor-astaxanthin |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C48H60O4 |
| InChI | InChI=1S/C48H60O4/c1-35(19-13-21-37(3)23-15-25-39(5)27-29-41-31-43(49)45(51)47(7,8)33-41)17-11-12-18-36(2)20-14-22-38(4)24-16-26-40(6)28-30-42-32-44(50)46(52)48(9,10)34-42/h11-32,45-46,51-52H,33-34H2,1-10H3/b12-11+,19-13+,20-14+,23-15+,24-16+,29-27+,30-28+,35-17+,36-18+,37-21+,38-22+,39-25+,40-26+ |
| InChIKey | NOIVHYRVYHDJBW-JUGWPEGCSA-N |
| Molecular Weight | 701.004 g/mol |
| SMILES | OC1C(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\C=2CC(C(C(C2)=O)O)(C)C)C)C)C)C)C)C)CC1(C)C)=O |
| SPLASH | splash10-0a4l-8900000000-afa14325f23fe6e1cda6 |
| Source of Spectrum | U-1997-1892-5 |
| Synonyms | 6-Hydroxy-3-[(1E,3E,5E,7E,9E,11E,13E,15E,17E,19E,21E,23E,25E)-26-(4-hydroxy-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 6-Hydroxy-3-[(1E,3E,5E,7E,9E,11E,13E,15E,17E,19E,21E,23E,25E)-26-(4-hydroxy-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 6-Hydroxy-3-[(1E,3E,5E,7E,9E,11E,13E,15E,17E,19E,21E,23E,25E)-26-(4-hydroxy-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-4-oxidanyl-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-6-oxidanyl-cyclohex-2-en-1-one |
| Wiley ID | 770021 |