Products 79694-52-3

CAS 79694-52-3 is the registry number for 3-Oxo-pregna-1,4,17(20)-triene-20-carboxylic Acid Methyl Ester. Offered by: TRC. Available pack sizes: 500mg.

3-Oxo-pregna-1,4,17(20)-triene-20-carboxylic Acid Methyl Ester
TRC
  • size: 500mg
  • Variants: 1
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Structural formula: {0} (CAS {1})

Methyl (2E)-2-[(8R,9S,10R,13S,14S)-13-methyl-3-oxo-6,7,8,9,10,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-ylidene]propanoate (CAS 79694-52-3) is a chemical compound with the molecular formula C22H28O3 and a molecular weight of 340.5 g/mol. IUPAC name: methyl (2E)-2-[(8R,9S,10R,13S,14S)-13-methyl-3-oxo-6,7,8,9,10,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-ylidene]propanoate. InChIKey: HWDWPMIGHIPCLF-YWWWCTLRSA-N.

Identity
Molecular formulaC22H28O3
Molecular weight340.5 g/mol
IUPAC namemethyl (2E)-2-[(8R,9S,10R,13S,14S)-13-methyl-3-oxo-6,7,8,9,10,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-ylidene]propanoate
InChIKeyHWDWPMIGHIPCLF-YWWWCTLRSA-N
SMILESC/C(=C\1/CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)C=C[C@H]34)C)/C(=O)OC

Computed by PubChem (NCBI)

Synonyms: 3-Oxo-pregna-1,4,17(20)-triene-20-carboxylic Acid Methyl Ester, 3-?Oxo-pregna-?1,?4,?17(20)?-?triene-?20-?carboxylic Acid Methyl Ester
Isomers (same molecular formula)
(4-butoxyphenyl) 4-pentylbenzoate C22H28O3
(8R,9S,10R,13S,14S,17R)-10,13-dimethylspiro[2,8,9,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthrene-17,5'-oxolane]-2',3-dione C22H28O3
[(8R,9S,10R,13S,14S,17R)-17-ethynyl-13-methyl-3-oxo-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl] acetate C22H28O3
(6S,8S,10R,13S,14S,17R)-17-acetyl-17-hydroxy-6,10,13-trimethyl-7,8,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-3-one C22H28O3
[(8R,9S,13S,14S,17R)-17-ethynyl-13-methyl-3-oxo-1,2,4,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl] acetate C22H28O3
(8R,9S,10R,13S,14S,17R)-17-acetyl-17-hydroxy-10,13-dimethyl-6-methylidene-7,8,9,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one C22H28O3
[(8R,9S,10R,13S,14S,17R)-17-ethynyl-13-methyl-3-oxo-1,2,4,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl] acetate C22H28O3
[(8R,9S,10R,13S,14S,17S)-10,13-dimethyl-6-methylidene-3-oxo-8,9,11,12,14,15,16,17-octahydro-7H-cyclopenta[a]phenanthren-17-yl] acetate C22H28O3
2-[3-(5-tert-butyl-2-methylphenyl)propyl]-6-methoxybenzoic acid C22H28O3
(2Z,8R,9S,10R,13S,14S,17R)-17-ethynyl-17-hydroxy-2-(hydroxymethylidene)-10,13-dimethyl-1,6,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one C22H28O3
[(8R,9S,10R,13S,14S,17S)-17-ethynyl-13-methyl-3-oxo-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl] acetate C22H28O3
(6R,8S,9S,10R,13S,14S,17R)-13-ethyl-17-ethynyl-6,17-dihydroxy-11-methylidene-2,6,7,8,9,10,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one C22H28O3