Products 56931-54-5

CAS 56931-54-5 is the registry number for 3-(Acetyloxy)-17-oxo-estra-1,3,5(10)-triene-4-acetic Acid. Offered by: TRC. Available pack sizes: 10mg, 2,5mg, 5mg.

3-(Acetyloxy)-17-oxo-estra-1,3,5(10)-triene-4-acetic Acid
TRC
  • size: 10mg, 2,5mg, 5mg
  • Variants: 3
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Structural formula: {0} (CAS {1})

2-[(8R,9S,13S,14S)-3-acetyloxy-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-4-yl]acetic acid (CAS 56931-54-5) is a chemical compound with the molecular formula C22H26O5 and a molecular weight of 370.4 g/mol. IUPAC name: 2-[(8R,9S,13S,14S)-3-acetyloxy-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-4-yl]acetic acid. InChIKey: RBRXHIYGQUCVLX-LVOOAJGHSA-N.

Identity
Molecular formulaC22H26O5
Molecular weight370.4 g/mol
IUPAC name2-[(8R,9S,13S,14S)-3-acetyloxy-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-4-yl]acetic acid
InChIKeyRBRXHIYGQUCVLX-LVOOAJGHSA-N
SMILESCC(=O)OC1=C(C2=C(C=C1)[C@H]3CC[C@]4([C@H]([C@@H]3CC2)CCC4=O)C)CC(=O)O

Computed by PubChem (NCBI)

Synonyms: 3-(Acetyloxy)-17-oxo-estra-1,3,5(10)-triene-4-acetic Acid
Isomers (same molecular formula)
2-[(1S,2S,10S,11S,13R,14R,15S,17S)-14-hydroxy-2,13,15-trimethyl-5-oxo-18-oxapentacyclo[8.8.0.01,17.02,7.011,15]octadeca-3,6-dien-14-yl]-2-oxoacetaldehyde C22H26O5
4-[(13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl)oxy]-4-oxobutanoic acid C22H26O5
(16R,17S,18S)-18-hydroxy-10,10,16,17-tetramethyl-6-propyl-3,9,15-trioxatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2(7),5,8(13),11-pentaen-4-one C22H26O5
2-(2-ethoxyethoxy)ethyl 2-(3-benzoylphenyl)propanoate C22H26O5