Chemical Component Summary | |
|---|---|
| Name | beta,beta-caroten-4-one |
| Synonyms | echinenone |
| Identifiers | 2,4,4-trimethyl-3-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohexen-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohex-2-en-1-one |
| Formula | C40 H54 O |
| Molecular Weight | 550.856 |
| Type | NON-POLYMER |
| Isomeric SMILES | CC1=C(C(CCC1)(C)C)/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 |
| InChI | InChI=1S/C40H54O/c1-30(18-13-20-32(3)23-25-36-34(5)22-15-28-39(36,7)8)16-11-12-17-31(2)19-14-21-33(4)24-26-37-35(6)38(41)27-29-40(37,9)10/h11-14,16-21,23-26H,15,22,27-29H2,1-10H3/b12-11+,18-13+,19-14+,25-23+,26-24+,30-16+,31-17+,32-20+,33-21+ |
| InChIKey | QXNWZXMBUKUYMD-QQGJMDNJSA-N |
Chemical Details | |
|---|---|
| Formal Charge | 0 |
| Atom Count | 95 |
| Chiral Atom Count | 0 |
| Bond Count | 96 |
| Aromatic Bond Count | 0 |
Related Resource References
| Resource Name | Reference |
|---|---|
| PubChem | 5281236 |
| ChEBI | CHEBI:4746 |
