13-cis Acitretin O-beta-D-Glucuronide

cas: 146090-81-5 — see every product listed under this CAS number, including other names

13-cis Acitretin O-beta-D-Glucuronide (CAS 146090-81-5) is a chemical reagent available from Chemat. Available pack sizes: 75mg. Offered by: TRC.

brandTRC
catalog numberTRC-A189930-75MG
cas146090-81-5
size75mg
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Structural formula: {0} (CAS {1})

(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[(2Z,4E,6E,8E)-9-(4-methoxy-2,3,6-trimethylphenyl)-3,7-dimethylnona-2,4,6,8-tetraenoyl]oxyoxane-2-carboxylic acid (CAS 146090-81-5) is a chemical compound with the molecular formula C27H34O9 and a molecular weight of 502.6 g/mol. IUPAC name: (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[(2Z,4E,6E,8E)-9-(4-methoxy-2,3,6-trimethylphenyl)-3,7-dimethylnona-2,4,6,8-tetraenoyl]oxyoxane-2-carboxylic acid. InChIKey: JBZDSEGJHOGTFE-HTUSQDISSA-N.

Identity
Molecular formulaC27H34O9
Molecular weight502.6 g/mol
IUPAC name(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[(2Z,4E,6E,8E)-9-(4-methoxy-2,3,6-trimethylphenyl)-3,7-dimethylnona-2,4,6,8-tetraenoyl]oxyoxane-2-carboxylic acid
InChIKeyJBZDSEGJHOGTFE-HTUSQDISSA-N
SMILESCC1=CC(=C(C(=C1/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)C)C)OC

Computed by PubChem (NCBI)

Synonyms: 13-cis Acitretin O-beta-D-Glucuronide, 13-Cis acitretin o-?-D-glucuronide
Related forms of this compound
(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[(2E,4E,6E,8E)-9-(4-methoxy-2,3,6-trimethylphenyl)-3,7-dimethylnona-2,4,6,8-tetraenoyl]oxyoxane-2-carboxylic acid C27H34O9
Isomers (same molecular formula)
(1R,3R,8R,12S,13R,18E,20Z,24R,25S,26S)-12-hydroxy-5,13,25-trimethylspiro[2,10,16,23-tetraoxatetracyclo[22.2.1.03,8.08,25]heptacosa-4,18,20-triene-26,2'-oxirane]-11,17,22-trione C27H34O9

Also listed as

13-Cis acitretin o-β-D-glucuronide Biosynth CAS 146090-81-5