(3S,5R,6S,3'R)-5,6-Epoxy-5,6-dihydro-b,b-carotene-3,3'-diol
6-[18-(4-hydroxy-2,6,6-trimethylcyclohexen-1-yl)-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-1,5,5-trimethyl-7-oxabicyclo[4.1.0]heptan-3-ol
Also Known As: Antheraxanthin|(3S,5R,6S,3'R)-5,6-Epoxy-5,6-dihydro-b,b-carotene-3,3'-diol|6-[18-(4-hydroxy-2,6,6-trimethyl-cyclohexen-1-yl)-3,7,12,16-tetramethyl-octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-1,5,5-trimethyl-7-oxabicyclo[4.1.0]heptan-3-ol|6-[18-(4-hydroxy-2,6,6-trimethylcyclohexen-1-yl)-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-1,5,5-trimethyl-7-oxabicyclo[4.1.0]heptan-3-ol
| Molecular Formula | C40H56O3 |
|---|---|
| Molecular Weight | 584.423 g/mol |
| LogP | 9.7586 |
| Topological Polar Surface Area | 52.99 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 10 |
| Exact Mass | 584.423 |
| Monoisotopic Mass | 584.423 |
| Heavy Atoms | 43 |
| Complexity | 1333.1165 |
Chemical Identifiers
| CAS Number | 640-03-9 |
|---|---|
| SMILES | CC1=C(C(CC(C1)O)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC23C(CC(CC2(O3)C)O)(C)C)C)C |
Product Overview
(3S,5R,6S,3'R)-5,6-Epoxy-5,6-dihydro-b,b-carotene-3,3'-diol (CAS 640-03-9), with molecular formula C40H56O3 and molecular weight 584.423 g/mol. IUPAC: 6-[18-(4-hydroxy-2,6,6-trimethylcyclohexen-1-yl)-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-1,5,5-trimethyl-7-oxabicyclo[4.1.0]heptan-3-ol.