11alpha-Hydroxyallopregnane-3,20-dione

cas: 565-96-8 — see every product listed under this CAS number, including other names

11alpha-Hydroxyallopregnane-3,20-dione (CAS 565-96-8) is a chemical reagent available from Chemat. Available pack sizes: 50mg. Offered by: TRC.

brandTRC
catalog numberTRC-H741065-50MG
cas565-96-8
size50mg
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Structural formula: {0} (CAS {1})

(5S,8S,9S,10S,11R,13S,14S,17S)-17-acetyl-11-hydroxy-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one (CAS 565-96-8) is a chemical compound with the molecular formula C21H32O3 and a molecular weight of 332.5 g/mol. IUPAC name: (5S,8S,9S,10S,11R,13S,14S,17S)-17-acetyl-11-hydroxy-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one. InChIKey: XHCCPSKYYJBSAA-ZOVJPLRPSA-N.

Identity
Molecular formulaC21H32O3
Molecular weight332.5 g/mol
IUPAC name(5S,8S,9S,10S,11R,13S,14S,17S)-17-acetyl-11-hydroxy-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one
InChIKeyXHCCPSKYYJBSAA-ZOVJPLRPSA-N
SMILESCC(=O)[C@H]1CC[C@@H]2[C@@]1(C[C@H]([C@H]3[C@H]2CC[C@@H]4[C@@]3(CCC(=O)C4)C)O)C

Computed by PubChem (NCBI)

Synonyms: 11.alpha.-Hydroxyallopregnane-3,20-dione, 11?-Hydroxyallopregnane-3,20-dione, Pregnane-3,20-dione, 11-hydroxy-, (5.alpha.,11.alpha.)-, 11-Hydroxypregnane-3,20-dione #, 11alpha-Hydroxyallopregnane-3,20-dione, 5.alpha.-Pregnane-3,20-dione, 11.alpha.-hydroxy-, XHCCPSKYYJBSAA-ZOVJPLRPSA-N, 11a-hydroxy-5a-pregnan-3,20-dione, 11'- Hydroxyallopregnane- 3, 20- dione, 5.alpha.-Pregnane-3, 11.alpha.-hydroxy-
Related forms of this compound
17-acetyl-11-hydroxy-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one C21H32O3
Isomers (same molecular formula)
methyl (1R,4S,5R,9S,10R,13S)-13-hydroxy-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylate C21H32O3
(4-propoxyphenyl) 4-pentylcyclohexane-1-carboxylate C21H32O3
(4-pentoxyphenyl) 4-propylcyclohexane-1-carboxylate C21H32O3
methyl 4-[(2S,3S)-3-[(1E,3E,5Z,8Z)-tetradeca-1,3,5,8-tetraenyl]oxiran-2-yl]butanoate C21H32O3
methyl 4-[3-[(2Z,5Z,8Z,11Z)-tetradeca-2,5,8,11-tetraenyl]oxiran-2-yl]butanoate C21H32O3
(8R,9S,10R,13S,14S,17R)-17-hydroxy-17-[(1S)-1-hydroxyethyl]-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one C21H32O3
(1R,2R,3aS,9aS)-1-[(3S)-3-hydroxyoctyl]-2,3,3a,4,9,9a-hexahydro-1H-cyclopenta[g]naphthalene-2,5-diol C21H32O3
(3R,5S,8S,9S,10S,13S,14S,17S)-17-acetyl-3-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-11-one C21H32O3
[(3S,8R,9S,10R,13S,14S,17S)-17-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate C21H32O3
(7R,8R,9S,13S,14S)-3,3-dimethoxy-7,13-dimethyl-1,2,4,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-one C21H32O3
1-[(3S,8R,9S,10R,13S,14S,17R)-3,17-dihydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl]ethanone C21H32O3

Also listed as

11'- Hydroxyallopregnane- 3, 20- dione Biosynth CAS 565-96-8