Products 97169-13-6
CAS 97169-13-6 is the registry number for (3S,3'S,4'R)-Idoxanthin. Offered by: TRC. Available pack sizes: 10mg.
(6S)-3-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(3R,4S)-3,4-dihydroxy-2,6,6-trimethylcyclohexen-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-6-hydroxy-2,4,4-trimethylcyclohex-2-en-1-one (CAS 97169-13-6) is a chemical compound with the molecular formula C40H54O4 and a molecular weight of 598.9 g/mol. IUPAC name: (6S)-3-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(3R,4S)-3,4-dihydroxy-2,6,6-trimethylcyclohexen-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-6-hydroxy-2,4,4-trimethylcyclohex-2-en-1-one. InChIKey: DNKQGUYVWUAYIE-KRJZFOBGSA-N.
| Molecular formula | C40H54O4 |
|---|---|
| Molecular weight | 598.9 g/mol |
| IUPAC name | (6S)-3-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(3R,4S)-3,4-dihydroxy-2,6,6-trimethylcyclohexen-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-6-hydroxy-2,4,4-trimethylcyclohex-2-en-1-one |
| InChIKey | DNKQGUYVWUAYIE-KRJZFOBGSA-N |
| SMILES | CC1=C(C(C[C@@H]([C@@H]1O)O)(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)[C@H](CC2(C)C)O)C)/C)/C |
Computed by PubChem (NCBI)