(2S,3S,4S,5R,6S)-6-(((2Z,4E,6E,8E)-3,7-Dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraenoyl)oxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylic acid, 98%

cas: 78147-42-9 — see every product listed under this CAS number, including other names

(2S,3S,4S,5R,6S)-6-(((2Z,4E,6E,8E)-3,7-Dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraenoyl)oxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylic acid, 98% (CAS 78147-42-9) is a chemical reagent available from Chemat. Available pack sizes: on request. Offered by: Chemat Brand.

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

(2S,3S,4S,5R,6S)-6-[(2Z,4E,6Z,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid (CAS 78147-42-9) is a chemical compound with the molecular formula C26H36O8 and a molecular weight of 476.6 g/mol. IUPAC name: (2S,3S,4S,5R,6S)-6-[(2Z,4E,6Z,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid. InChIKey: MTGFYEHKPMOVNE-PLEZPQHTSA-N.

Identity
Molecular formulaC26H36O8
Molecular weight476.6 g/mol
IUPAC name(2S,3S,4S,5R,6S)-6-[(2Z,4E,6Z,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
InChIKeyMTGFYEHKPMOVNE-PLEZPQHTSA-N
SMILESCC1=C(C(CCC1)(C)C)/C=C/C(=C\C=C\C(=C/C(=O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O)\C)/C

Computed by PubChem (NCBI)

Synonyms: 13-cis-Retinoyl-beta-glucuronide, 13-cis Retinoyl beta-D-Glucuronide, >85per cent By HPLC, beta-D-Glucopyranuronic acid, 1-(13-cis-retinoate)
Related forms of this compound
(2S,3S,4S,5R,6S)-6-[(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid C26H36O8
(2S,3S,4S,5R,6S)-6-[(2E,4E,6Z,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid C26H36O8
Isomers (same molecular formula)
4-[2-[(6S,8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-6,10,13-trimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethoxy]-4-oxobutanoic acid C26H36O8
[(1S,3R,5S,6aS,7R,8R,10S,10aS)-1,3-diacetyloxy-10-hydroxy-7,8-dimethyl-7-(3-methylidenepent-4-enyl)-1,3,5,6,6a,8,9,10-octahydrobenzo[d][2]benzofuran-5-yl] acetate C26H36O8
4-O-[2-[(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] 1-O-methyl butanedioate C26H36O8

Also listed as

13-cis Retinoyl β-D-glucuronide MedChemExpress CAS 78147-42-9