17-Hydroxy-3,11-dioxo-androst-4-ene-17Beta-carboxylic Acid

cas: 3597-44-2 — see every product listed under this CAS number, including other names

17-Hydroxy-3,11-dioxo-androst-4-ene-17Beta-carboxylic Acid (CAS 3597-44-2) is a chemical reagent available from Chemat. Available pack sizes: 1g. Offered by: TRC.

brandTRC
catalog numberTRC-H952158-1G
cas3597-44-2
size1g
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Structural formula: {0} (CAS {1})

(8S,9S,10R,13S,14S,17R)-17-hydroxy-10,13-dimethyl-3,11-dioxo-1,2,6,7,8,9,12,14,15,16-decahydrocyclopenta[a]phenanthrene-17-carboxylic acid (CAS 3597-44-2) is a chemical compound with the molecular formula C20H26O5 and a molecular weight of 346.4 g/mol. IUPAC name: (8S,9S,10R,13S,14S,17R)-17-hydroxy-10,13-dimethyl-3,11-dioxo-1,2,6,7,8,9,12,14,15,16-decahydrocyclopenta[a]phenanthrene-17-carboxylic acid. InChIKey: CULWSMXOZXJGRW-ZHCMNPPYSA-N.

Identity
Molecular formulaC20H26O5
Molecular weight346.4 g/mol
IUPAC name(8S,9S,10R,13S,14S,17R)-17-hydroxy-10,13-dimethyl-3,11-dioxo-1,2,6,7,8,9,12,14,15,16-decahydrocyclopenta[a]phenanthrene-17-carboxylic acid
InChIKeyCULWSMXOZXJGRW-ZHCMNPPYSA-N
SMILESC[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2C(=O)C[C@]4([C@H]3CC[C@@]4(C(=O)O)O)C

Computed by PubChem (NCBI)

Synonyms: 17-Hydroxy-3,11-dioxo-androst-4-ene-17b-carboxylic Acid, 17-hydroxy-10,13-dimethyl-3,11-dioxo-1,2,6,7,8,9,12,14,15,16, 17-Hydroxy-3,11-dioxo-androst-4-ene-17Beta-carboxylic Acid
Isomers (same molecular formula)
2-(3-hexyl-4,8-dimethyl-2-oxochromen-7-yl)oxypropanoic acid C20H26O5
[(8R,9S,13S,14S,15R,16R,17S)-3,15,16-trihydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] acetate C20H26O5
(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-17-carboxylic acid C20H26O5
methyl (1R,2R,5R,8R,9S,10R,11S,12S)-12-hydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadecane-9-carboxylate C20H26O5
(1R,2S,3S,4R,8R,9R,12R)-8-formyl-4-methyl-13-methylidenetetracyclo[10.2.1.01,9.03,8]pentadecane-2,4-dicarboxylic acid C20H26O5
(1R,2R,5S,8S,9S,10S,11R)-5-hydroxy-11-methyl-6-methylidene-12-oxo-13-oxapentacyclo[9.3.3.15,8.01,10.02,8]octadecane-9-carboxylic acid C20H26O5
(8S,9S,10R,11S,13S,14S,17S)-11,17-dihydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-17-carboxylic acid C20H26O5
(1R,8R,9R,10S)-3,4,9-trihydroxy-11,11-dimethyl-5-propan-2-yl-16-oxatetracyclo[6.6.2.01,10.02,7]hexadeca-2,4,6-trien-15-one C20H26O5
(1R,2R,5R,8R,9S,10R,11S,12S,13R)-12-hydroxy-11,13-dimethyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadecane-9-carboxylic acid C20H26O5
16,18-dimethoxy-4-methyl-3-oxabicyclo[12.4.0]octadeca-1(14),12,15,17-tetraene-2,8-dione C20H26O5
4,5,5-trideuterio-16,18-dimethoxy-4-(trideuteriomethyl)-3-oxabicyclo[12.4.0]octadeca-1(14),12,15,17-tetraene-2,8-dione C20H26O5
3,4,8-trihydroxy-11,11-dimethyl-5-propan-2-yl-16-oxatetracyclo[7.5.2.01,10.02,7]hexadeca-2,4,6-trien-15-one C20H26O5

Also listed as

17-Hydroxy-3,11-dioxo-androst-4-ene-17b-carboxylic Acid TRC CAS 3597-44-2