3',4'-Didehydro-beta,psi-caroten-16'-oic acid
2,6,10,14,19,23-hexamethyl-25-(2,6,6-trimethylcyclohexen-1-yl)pentacosa-2,4,6,8,10,12,14,16,18,20,22,24-dodecaenoic acid
Also Known As: Torularhodin|NCI60_011910|3',4'-didehydro-beta,psi-caroten-16'-oic acid|3',4'-DIDEHYDRO-.BETA.,.PSI.-CAROTEN-16'-OIC ACID|2,6,10,14,19,23-hexamethyl-25-(2,6,6-trimethylcyclohexen-1-yl)pentacosa-2,4,6,8,10,12,14,16,18,20,22,24-dodecaenoic acid
| Molecular Formula | C40H52O2 |
|---|---|
| Molecular Weight | 564.3967 g/mol |
| LogP | 11.61 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 13 |
| Exact Mass | 564.3967 |
| Heavy Atoms | 42 |
| Complexity | 1329.3 |
Chemical Identifiers
| CAS Number | 514-92-1 |
|---|---|
| SMILES | CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC=C(C)C=CC=C(C)C(=O)O)C)C |
Product Overview
3',4'-Didehydro-beta,psi-caroten-16'-oic acid (CAS 514-92-1), with molecular formula C40H52O2 and molecular weight 564.3967 g/mol. IUPAC: 2,6,10,14,19,23-hexamethyl-25-(2,6,6-trimethylcyclohexen-1-yl)pentacosa-2,4,6,8,10,12,14,16,18,20,22,24-dodecaenoic acid.
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