Products 181229-50-5

CAS 181229-50-5 is the registry number for 21-(3-Carboxy-1-oxopropoxy)-11,17-dihydroxy-(11beta,17alphalpha)-Pregn-4-ene-3,20-dione. Offered by: TRC. Available pack sizes: 25mg.

21-(3-Carboxy-1-oxopropoxy)-11,17-dihydroxy-(11beta,17alphalpha)-Pregn-4-ene-3,20-dione
TRC
  • size: 25mg
  • Variants: 1
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Structural formula: {0} (CAS {1})

4-[2-[(8S,9S,10R,11S,13S,14S,17S)-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-oxoethoxy]-4-oxobutanoic acid (CAS 181229-50-5) is a chemical compound with the molecular formula C25H34O8 and a molecular weight of 462.5 g/mol. IUPAC name: 4-[2-[(8S,9S,10R,11S,13S,14S,17S)-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-oxoethoxy]-4-oxobutanoic acid. InChIKey: VWQWXZAWFPZJDA-RRDJUGERSA-N.

Identity
Molecular formulaC25H34O8
Molecular weight462.5 g/mol
IUPAC name4-[2-[(8S,9S,10R,11S,13S,14S,17S)-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-oxoethoxy]-4-oxobutanoic acid
InChIKeyVWQWXZAWFPZJDA-RRDJUGERSA-N
SMILESC[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CC[C@]4(C(=O)COC(=O)CCC(=O)O)O)C)O

Computed by PubChem (NCBI)

Synonyms: 21-(3-Carboxy-1-oxopropoxy)-11,17-dihydroxy-(11?,17?)-Pregn-4-ene-3,20-dione
Related forms of this compound
4-[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-oxoethoxy]-4-oxobutanoic acid C25H34O8
4-[2-[(8S,9S,10R,11R,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-oxoethoxy]-4-oxobutanoic acid C25H34O8
Isomers (same molecular formula)
(2R,3R,4S,5S,6R)-2-[1,7-bis(4-hydroxyphenyl)heptan-3-yloxy]-6-(hydroxymethyl)oxane-3,4,5-triol C25H34O8
4-[[(8S,9S,10R,11S,13S,14S,17R)-11-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]oxy]-4-oxobutanoic acid C25H34O8
(2S,3S,4S,5R,6R)-6-[[(8R,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid C25H34O8
(2S,3S,4S,5R,6R)-6-[[(8R,9S,10R,13S,14S,17R)-10,13-dimethyl-3-oxo-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid C25H34O8