15,15'-Didehydroastaxanthin
6-hydroxy-3-[(1E,3E,5E,7E,11E,13E,15E,17E)-18-(4-hydroxy-2,6,6-trimethyl-3-oxocyclohexen-1-yl)-3,7,12,16-tetramethyloctadeca-1,3,5,7,11,13,15,17-octaen-9-ynyl]-2,4,4-trimethylcyclohex-2-en-1-one
Also Known As: DDHAX|15,15'-Didehydroastaxanthin|6-hydroxy-3-[(1E,3E,5E,7E,11E,13E,15E,17E)-18-(4-hydroxy-2,6,6-trimethyl-3-oxocyclohexen-1-yl)-3,7,12,16-tetramethyloctadeca-1,3,5,7,11,13,15,17-octaen-9-ynyl]-2,4,4-trimethylcyclohex-2-en-1-one|beta,beta-Carotene-4,4'-dione, 15,15'-didehydro-3,3'-dihydroxy-, (3S,3'S)-|.beta.,.beta.-Carotene-4,4'-dione, 15,15'-didehydro-3,3'-dihydroxy-, (3S,3'S)-
| Molecular Formula | C40H50O4 |
|---|---|
| Molecular Weight | 594.3709 g/mol |
| LogP | 8.3526 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 594.3709 |
| Monoisotopic Mass | 594.3709 |
| Heavy Atoms | 44 |
| Complexity | 1395.5359 |
Chemical Identifiers
| CAS Number | 58720-65-3 |
|---|---|
| SMILES | CC1=C(C(CC(C1=O)O)(C)C)/C=C/C(=C/C=C/C(=C/C#C/C=C(/C=C/C=C(/C=C/C2=C(C(=O)C(CC2(C)C)O)C)\C)\C)/C)/C |
Product Overview
15,15'-Didehydroastaxanthin (CAS 58720-65-3), with molecular formula C40H50O4 and molecular weight 594.3709 g/mol. IUPAC: 6-hydroxy-3-[(1E,3E,5E,7E,11E,13E,15E,17E)-18-(4-hydroxy-2,6,6-trimethyl-3-oxocyclohexen-1-yl)-3,7,12,16-tetramethyloctadeca-1,3,5,7,11,13,15,17-octaen-9-ynyl]-2,4,4-trimethylcyclohex-2-en-1-one.