13-cis-Astaxanthin

cas: 113085-05-5 — see every product listed under this CAS number, including other names

13-cis-Astaxanthin (CAS 113085-05-5) is a chemical reagent available from Chemat. Available pack sizes: on request, 1MG. Offered by: Chemat Brand, Sigma-Aldrich.

brandChemat Brand
catalog numberULA158006
cas113085-05-5
sizeon request
availability Do potwierdzenia przez Chemat|To be confirmed by Chemat
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Sigma-Aldrich 1MG 4432.00 Pln

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categoryChemicals
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(6S)-6-hydroxy-3-[(1E,3E,5E,7E,9E,11Z,13E,15E,17E)-18-[(4S)-4-hydroxy-2,6,6-trimethyl-3-oxocyclohexen-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-2,4,4-trimethylcyclohex-2-en-1-one (CAS 113085-05-5) is a chemical compound with the molecular formula C40H52O4 and a molecular weight of 596.8 g/mol. IUPAC name: (6S)-6-hydroxy-3-[(1E,3E,5E,7E,9E,11Z,13E,15E,17E)-18-[(4S)-4-hydroxy-2,6,6-trimethyl-3-oxocyclohexen-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-2,4,4-trimethylcyclohex-2-en-1-one. InChIKey: MQZIGYBFDRPAKN-SODZLZBXSA-N.

Identity
Molecular formulaC40H52O4
Molecular weight596.8 g/mol
IUPAC name(6S)-6-hydroxy-3-[(1E,3E,5E,7E,9E,11Z,13E,15E,17E)-18-[(4S)-4-hydroxy-2,6,6-trimethyl-3-oxocyclohexen-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-2,4,4-trimethylcyclohex-2-en-1-one
InChIKeyMQZIGYBFDRPAKN-SODZLZBXSA-N
SMILESCC1=C(C(C[C@@H](C1=O)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)

Synonyms: 13-cis-Astaxanthin, Astaxanthin, (13Z)-, beta,beta-Carotene-4,4'-dione, 3,3'-dihydroxy-, (3S,3'S,13-cis)-, 13-Cis astaxanthin (constituent of astaxanthin esters), (13Z)-astaxanthin, 13-cis -astaxanthin, MQZIGYBFDRPAKN-SODZLZBXSA-N
Related forms of this compound
(6R)-6-hydroxy-3-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(4R)-4-hydroxy-2,6,6-trimethyl-3-oxocyclohexen-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-2,4,4-trimethylcyclohex-2-en-1-one C40H52O4
(6S)-6-hydroxy-3-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(4R)-4-hydroxy-2,6,6-trimethyl-3-oxocyclohexen-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-2,4,4-trimethylcyclohex-2-en-1-one C40H52O4
(6S)-6-hydroxy-3-[(1E,3Z,5E,7E,9E,11E,13E,15E,17E)-18-[(4S)-4-hydroxy-2,6,6-trimethyl-3-oxocyclohexen-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-2,4,4-trimethylcyclohex-2-en-1-one C40H52O4
(6S)-6-hydroxy-3-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(4S)-4-hydroxy-2,6,6-trimethyl-3-oxocyclohexen-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-2,4,4-trimethylcyclohex-2-en-1-one C40H52O4
6-hydroxy-3-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-(4-hydroxy-2,6,6-trimethyl-3-oxocyclohexen-1-yl)-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-2,4,4-trimethylcyclohex-2-en-1-one C40H52O4