Phenylbutyrate Related Compound 6

cas: 864811-35-8 — see every product listed under this CAS number, including other names

Phenylbutyrate Related Compound 6 (CAS 864811-35-8) is a chemical reagent available from Chemat. Available pack sizes: on request. Offered by: Chemat Brand.

brandChemat Brand
catalog numberAO-P0386.06
cas864811-35-8
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Structural formula: {0} (CAS {1})

[2-hydroxy-3-(4-phenylbutanoyloxy)propyl] 4-phenylbutanoate (CAS 864811-35-8) is a chemical compound with the molecular formula C23H28O5 and a molecular weight of 384.5 g/mol. IUPAC name: [2-hydroxy-3-(4-phenylbutanoyloxy)propyl] 4-phenylbutanoate. InChIKey: GEXDMGACZSUNJN-UHFFFAOYSA-N.

Identity
Molecular formulaC23H28O5
Molecular weight384.5 g/mol
IUPAC name[2-hydroxy-3-(4-phenylbutanoyloxy)propyl] 4-phenylbutanoate
InChIKeyGEXDMGACZSUNJN-UHFFFAOYSA-N
SMILESC1=CC=C(C=C1)CCCC(=O)OCC(COC(=O)CCCC2=CC=CC=C2)O

Computed by PubChem (NCBI)

Synonyms: 2-Hydroxypropane-1,3-diyl bis(4-phenylbutanoate), 1,3-Di(4-phenylbutyryl)glycerol, Phenylbutyrate Impurity 7, Glycerol Phenylbutyrate Impurity 5, Benzenebutanoic acid, 2-hydroxy-1,3-propanediyl ester
Isomers (same molecular formula)
[2-[(8S,9S,10R,11S,13S,14S)-11-hydroxy-10,13-dimethyl-3-oxo-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate C23H28O5
[2-[(8S,10S,13S,14S,17R)-17-hydroxy-10,13-dimethyl-3-oxo-7,8,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate C23H28O5
[2-[(8S,9S,10R,11R,13S,14S)-11-hydroxy-10,13-dimethyl-3-oxo-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate C23H28O5
(7R,8R,10S,13S,14S,17R)-10,13-dimethyl-3,5'-dioxospiro[2,6,7,8,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthrene-17,2'-oxolane]-7-carboxylic acid C23H28O5
(1R,4S,5R,8S,9R,10R,17S)-4,17-dimethylspiro[18-oxapentacyclo[8.7.2.01,9.04,8.012,17]nonadec-12-ene-5,5'-oxolane]-2',14,19-trione C23H28O5
[3-hydroxy-2-(4-phenylbutanoyloxy)propyl] 4-phenylbutanoate C23H28O5
[2-[(1S,2S,6S,7S,11S)-7,11-dimethyl-14-oxo-5-oxapentacyclo[8.8.0.02,7.04,6.011,16]octadeca-9,15-dien-6-yl]-2-oxoethyl] acetate C23H28O5
[(1Z)-1-[(8S,9S,10R,11S,13S,14S)-11-hydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-ylidene]-2-oxoethyl] acetate C23H28O5
[(1E)-1-[(8S,9S,10R,11S,13S,14S)-11-hydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-ylidene]-2-oxoethyl] acetate C23H28O5