(3S,3'S,4'R)-Idoxanthin

cas: 97169-13-6 — see every product listed under this CAS number, including other names

(3S,3'S,4'R)-Idoxanthin (CAS 97169-13-6) is a chemical reagent available from Chemat. Available pack sizes: 10mg. Offered by: TRC.

brandTRC
catalog numberTRC-I192730-10MG
cas97169-13-6
size10mg
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properties

purityNo data
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Structural formula: {0} (CAS {1})

(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.

Identity
Molecular formulaC40H54O4
Molecular weight598.9 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
InChIKeyDNKQGUYVWUAYIE-KRJZFOBGSA-N
SMILESCC1=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)