17,20Beta-Dihydroxypregn-4-en-3-one 20-Acetate

cas: 108448-27-7 — see every product listed under this CAS number, including other names

17,20Beta-Dihydroxypregn-4-en-3-one 20-Acetate (CAS 108448-27-7) is a chemical reagent available from Chemat. Available pack sizes: 1mg, 2,5mg. Offered by: TRC.

brandTRC
catalog numberTRC-D453530-1MG
cas108448-27-7
size1mg
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Structural formula: {0} (CAS {1})

[(1R)-1-[(8R,9S,10R,13S,14S,17R)-17-hydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]ethyl] acetate (CAS 108448-27-7) is a chemical compound with the molecular formula C23H34O4 and a molecular weight of 374.5 g/mol. IUPAC name: [(1R)-1-[(8R,9S,10R,13S,14S,17R)-17-hydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]ethyl] acetate. InChIKey: ROAFEZZIAITNPZ-PKTXXXCRSA-N.

Identity
Molecular formulaC23H34O4
Molecular weight374.5 g/mol
IUPAC name[(1R)-1-[(8R,9S,10R,13S,14S,17R)-17-hydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]ethyl] acetate
InChIKeyROAFEZZIAITNPZ-PKTXXXCRSA-N
SMILESC[C@H]([C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C)O)OC(=O)C

Computed by PubChem (NCBI)

Synonyms: 17,20b-Dihydroxypregn-4-en-3-one 20-Acetate, (20R)-20-(Acetyloxy)-17-hydroxypregn-4-en-3-one, 17,20beta-Dihydroxypregn-4-en-3-one20-Acetate
Isomers (same molecular formula)
3-[(3R,5S,10S,13R,14S,17R)-3,14-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one C23H34O4
3-[(3S,5R,8R,9S,10S,13R,14S,17R)-3,14-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one C23H34O4
(3aS,9aS,9bS)-3a-methyl-6-[2-(2,5,5-trimethyl-1,3-dioxan-2-yl)ethyl]-1,2,4,5,8,9,9a,9b-octahydrocyclopenta[a]naphthalene-3,7-dione C23H34O4
(3R)-3-[(1R,3aS,4E,7aR)-4-[(2Z)-2-[(3S,5R)-3,5-dihydroxy-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]butanoic acid C23H34O4
[(8R,9S,10R,13S,14S,17R)-17-[(1S)-1-hydroxyethyl]-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate C23H34O4
(1R,2S,4R,6S,7S,10S,11R,14S)-7,11-dimethyl-6-(2-methyl-1,3-dioxolan-2-yl)-5-oxapentacyclo[8.8.0.02,7.04,6.011,16]octadec-16-en-14-ol C23H34O4
10-ethoxy-6,6,9-trimethyl-3-pentyl-8,10-dihydro-7H-benzo[c]chromene-1,9-diol C23H34O4
[(3S,8R,9S,10R,13S,14S,17R)-17-acetyl-3-hydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl] acetate C23H34O4
[(3S,8R,9S,10R,13S,14S,17S)-17-acetyloxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate C23H34O4
[2-[(3S,8S,9S,10R,13S,14S,17S)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate C23H34O4
(3S,5R,8R,9S,10S,13S,14S,17S)-17-(furan-3-yl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene-3,14,17-triol C23H34O4
(9R,10R)-10-ethoxy-6,6,9-trimethyl-3-pentyl-8,10-dihydro-7H-benzo[c]chromene-1,9-diol C23H34O4

Also listed as

17,20b-Dihydroxypregn-4-en-3-one 20-Acetate TRC CAS 108448-27-7