Beta,beta-carotene-3,3'-diol
4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-(4-hydroxy-2,6,6-trimethylcyclohexen-1-yl)-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-3,5,5-trimethylcyclohex-3-en-1-ol
Also Known As: Zeaxanthin|Anchovixanthin|(3R,3'S)-Zeaxanthin|meso-Zeaxanthin [M+H]+|b,b-Carotene-3,3'-diol|Beta,beta-carotene-3,3'-diol|beta,beta-Carotene-3,3 -diol|3,3 -Dihydroxy-beta,beta-carotene|(3R,3'R)-beta,beta-Carotin-3,3'-diol|(1R)-4-[18-[(4R)-4-hydroxy-2,6,6-trimethylcyclohexen-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-3,5,5-trimethylcyclohex-3-en-1-ol|4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-(4-HYDROXY-2,6,6-TRIMETHYLCYCLOHEX-1-EN-1-YL)-3,7,12,16-TETRAMETHYLOCTADECA-1,3,5,7,9,11,13,15,17-NONAEN-1-YL]-3,5,5-TRIMETHYLCYCLOHEX-3-EN-1-OL|4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-(4-hydroxy-2,6,6-trimethylcyclohexen-1-yl)-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-3,5,5-trimethylcyclohex-3-en-1-ol
| Molecular Formula | C40H56O2 |
|---|---|
| Molecular Weight | 568.42804 g/mol |
| LogP | 10.5474 |
| Topological Polar Surface Area | 40.46 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 10 |
| Exact Mass | 568.42804 |
| Monoisotopic Mass | 568.42804 |
| Heavy Atoms | 42 |
| Complexity | 1188.559 |
Chemical Identifiers
| CAS Number | 29472-68-2 |
|---|---|
| SMILES | CC1=C(C(CC(C1)O)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/C2=C(CC(CC2(C)C)O)C)\C)\C)/C)/C |
Product Overview
Beta,beta-carotene-3,3'-diol (CAS 29472-68-2), with molecular formula C40H56O2 and molecular weight 568.42804 g/mol. IUPAC: 4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-(4-hydroxy-2,6,6-trimethylcyclohexen-1-yl)-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-3,5,5-trimethylcyclohex-3-en-1-ol.