Allopregnane-3α,20ß-diol

cas: 566-57-4 — see every product listed under this CAS number, including other names

Allopregnane-3α,20ß-diol (CAS 566-57-4) is a chemical reagent available from Chemat. Available pack sizes: on request. Offered by: Chemat Brand.

brandChemat Brand
catalog numberULP3293
cas566-57-4
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Structural formula: {0} (CAS {1})

(3R,5S,8R,9S,10S,13S,14S,17S)-17-[(1R)-1-hydroxyethyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol (CAS 566-57-4) is a chemical compound with the molecular formula C21H36O2 and a molecular weight of 320.5 g/mol. IUPAC name: (3R,5S,8R,9S,10S,13S,14S,17S)-17-[(1R)-1-hydroxyethyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol. InChIKey: YWYQTGBBEZQBGO-HZCKZVNYSA-N.

Identity
Molecular formulaC21H36O2
Molecular weight320.5 g/mol
IUPAC name(3R,5S,8R,9S,10S,13S,14S,17S)-17-[(1R)-1-hydroxyethyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol
InChIKeyYWYQTGBBEZQBGO-HZCKZVNYSA-N
SMILESC[C@H]([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(CC[C@H](C4)O)C)C)O

Computed by PubChem (NCBI)

Synonyms: Allopregnane-3alpha,20beta-diol, Allopregnane-3alpha,20beta-diol [MI], 3alpha,20beta-Dihydroxy-5alpha-pregnane, Pregnane-3,20-diol, (3alpha,5alpha,20R)-, 5.alpha.-Pregnane-3.alpha.,20.alpha.-diol, Allopregnane-3alpha,20ss-diol, (20R)-5alpha-Pregnane-3alpha,20-diol, (20R)3alpha,20-Dihydroxy-5alpha-pregnane, (20 R)3alpha.20-Dihydroxy-5alpha-pregnane, (3I+/-,5I+/-,20R)-Pregnane-3,20-diol
Related forms of this compound
(3S,5R,8R,9S,10S,13S,14S,17S)-17-[(1S)-1-hydroxyethyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol C21H36O2
(3R,5R,8R,9S,10S,13S,14S,17S)-17-[(1S)-1-hydroxyethyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol C21H36O2
(3S,5S,8R,9S,10S,13S,14S,17S)-17-[(1R)-1-hydroxyethyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol C21H36O2
(3S,5S,8R,9S,10S,13S,14S,17S)-17-[(1S)-1-hydroxyethyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol C21H36O2
(3R,5S,8R,9S,10S,13S,14S,17S)-17-[(1S)-1-hydroxyethyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol C21H36O2
Isomers (same molecular formula)
(9Z,12Z,15Z)-henicosa-9,12,15-trienoic acid C21H36O2
methyl (5Z,8Z,11Z)-icosa-5,8,11-trienoate C21H36O2
(12E,15E,18E)-henicosa-12,15,18-trienoic acid C21H36O2
(2R,3S,5S,8R,9S,10S,13S,14S,17S)-2,10,13,17-tetramethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthrene-3,17-diol C21H36O2
(3S,8R,9S,10S,13S,14S,17S)-3,10,13,17-tetramethyl-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene-3,17-diol C21H36O2
(3R,5R,7R,8R,9S,10S,13S,14S,17S)-7,10,13,17-tetramethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthrene-3,17-diol C21H36O2
(3R,5R,7S,8R,9S,10S,13S,14S,17S)-7,10,13,17-tetramethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthrene-3,17-diol C21H36O2