(3Beta,7Beta)-3-(Acetyloxy)-7-hydroxy-androst-5-en-17-one

cas: 37976-96-8 — see every product listed under this CAS number, including other names

(3Beta,7Beta)-3-(Acetyloxy)-7-hydroxy-androst-5-en-17-one (CAS 37976-96-8) is a chemical reagent available from Chemat. Available pack sizes: 100mg, 250mg. Offered by: TRC.

brandTRC
catalog numberTRC-A164235-100MG
cas37976-96-8
size100mg
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Structural formula: {0} (CAS {1})

[(3S,7R,8R,9S,10R,13S,14S)-7-hydroxy-10,13-dimethyl-17-oxo-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl] acetate (CAS 37976-96-8) is a chemical compound with the molecular formula C21H30O4 and a molecular weight of 346.5 g/mol. IUPAC name: [(3S,7R,8R,9S,10R,13S,14S)-7-hydroxy-10,13-dimethyl-17-oxo-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl] acetate. InChIKey: ROQJNRDLUNFGNK-DGWDJNBYSA-N.

Identity
Molecular formulaC21H30O4
Molecular weight346.5 g/mol
IUPAC name[(3S,7R,8R,9S,10R,13S,14S)-7-hydroxy-10,13-dimethyl-17-oxo-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl] acetate
InChIKeyROQJNRDLUNFGNK-DGWDJNBYSA-N
SMILESCC(=O)O[C@H]1CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3[C@H](C=C2C1)O)CCC4=O)C)C

Computed by PubChem (NCBI)

Synonyms: (3b,7b)-3-(Acetyloxy)-7-hydroxy-androst-5-en-17-one, ROQJNRDLUNFGNK-DGWDJNBYSA-N, 3beta-acetoxy-7beta-hydroxy-5-androsten-17-one
Isomers (same molecular formula)
(9S,10S)-6,6,9-trimethyl-3-pentyl-8,10-dihydro-7H-benzo[c]chromene-1,9,10-triol C21H30O4
[(1S,2S,4R,6S,8S,11R,12S,14R,16R,17S)-2,17-dimethyl-5,15-dioxahexacyclo[9.8.0.02,8.04,6.012,17.014,16]nonadecan-16-yl] acetate C21H30O4
(8R,9S,10R,13S,14S,16R,17S)-17-acetyl-16,17-dihydroxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one C21H30O4
(8S,9S,10R,11S,13S,14S,17R)-17-acetyl-11,17-dihydroxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one C21H30O4
(8R,9S,10R,13S,14S,17R)-17-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one C21H30O4
(8S,9S,10R,11S,13S,14S,17S)-11-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one C21H30O4
(8S,9S,10R,11R,13S,14S,17R)-17-acetyl-11,17-dihydroxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one C21H30O4
(8S,9S,10R,11R,13S,14S,17S)-11,17-dihydroxy-2-(hydroxymethyl)-10,13,17-trimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one C21H30O4
(6R,8R,9S,10R,13S,14S,17R)-17-acetyl-6,17-dihydroxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one C21H30O4
(5R,8S,9S,10S,13S,14S,17R)-17-acetyl-17-hydroxy-10,13-dimethyl-1,2,4,5,6,7,8,9,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-3,11-dione C21H30O4
3-methyl-1-[2,4,6-trihydroxy-3,5-bis(3-methylbut-2-enyl)phenyl]butan-1-one C21H30O4
[(6R,8R,9R,10S,13S,14S,17S)-6-hydroxy-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] acetate C21H30O4

Also listed as

(3b,7b)-3-(Acetyloxy)-7-hydroxy-androst-5-en-17-one TRC CAS 37976-96-8
(3S,7R,10R,13S)-7-Hydroxy-10,13-dimethyl-17-oxo-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta(A)phenanthren-3-yl acetate Biosynth CAS 37976-96-8