45D
beta,beta-carotene-4,4'-dione
Find entries where: 45D
is present as a standalone ligand in 27 entries
Chemical Component Summary | |
|---|---|
| Name | beta,beta-carotene-4,4'-dione |
| Synonyms | Isomer of Canthaxanthin |
| Identifiers | 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-oxidanylidene-cyclohexen-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohex-2-en-1-one |
| Formula | C40 H52 O2 |
| Molecular Weight | 564.84 |
| Type | NON-POLYMER |
| Isomeric SMILES | CC1=C(C(CCC1=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)CCC2(C)C)C)\C)\C)/C)/C |
| InChI | InChI=1S/C40H52O2/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/h11-24H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+ |
| InChIKey | FDSDTBUPSURDBL-DKLMTRRASA-N |
Chemical Details | |
|---|---|
| Formal Charge | 0 |
| Atom Count | 94 |
| Chiral Atom Count | 0 |
| Bond Count | 95 |
| Aromatic Bond Count | 0 |
Related Resource References
| Resource Name | Reference |
|---|---|
| PubChem | 5281227 |
| ChEMBL | CHEMBL1329004 |
| ChEBI | CHEBI:3362 |
| COD | 2102774, 2102775 |
