Products 570-50-3

CAS 570-50-3 is the registry number for 5α-Pregnane-3β,17α,20α-triol. Offered by: MedChemExpress. Available pack sizes: Get quote.

5α-Pregnane-3β,17α,20α-triol
MedChemExpress
  • size: Get quote
  • Variants: 1
View product
Structural formula: {0} (CAS {1})

(3S,5S,8R,9S,10S,13S,14S,17R)-17-[(1S)-1-hydroxyethyl]-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthrene-3,17-diol (CAS 570-50-3) is a chemical compound with the molecular formula C21H36O3 and a molecular weight of 336.5 g/mol. IUPAC name: (3S,5S,8R,9S,10S,13S,14S,17R)-17-[(1S)-1-hydroxyethyl]-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthrene-3,17-diol. InChIKey: SCPADBBISMMJAW-LEKZYSGJSA-N.

Identity
Molecular formulaC21H36O3
Molecular weight336.5 g/mol
IUPAC name(3S,5S,8R,9S,10S,13S,14S,17R)-17-[(1S)-1-hydroxyethyl]-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthrene-3,17-diol
InChIKeySCPADBBISMMJAW-LEKZYSGJSA-N
SMILESC[C@@H]([C@]1(CC[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)O

Computed by PubChem (NCBI)

Synonyms: Reichstein's substance O, Allopregnane-3beta,17alpha,20alpha-triol, 5alpha-Pregnane-3beta,17alpha,20alpha-triol, Allopregnane-3beta,17alpha,20alpha-triol [MI], Pregnane-3,17,20-triol, (3beta,5alpha,20S)-, orb3023204, 5alpha-PREGNAN-3beta, 17, 20beta-TRIOL
Related forms of this compound
(3R,5R,8R,9S,10S,13S,14S,17R)-17-[(1S)-1-hydroxyethyl]-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthrene-3,17-diol C21H36O3
(3R,5R,8R,9S,10S,13S,14S,17R)-10,13-dimethyl-17-[(1S)-1,2,2,2-tetradeuterio-1-hydroxyethyl]-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthrene-3,17-diol C21H36O3
(3R,5R,8R,9S,10S,13S,14S,17R)-17-[(1R)-1-hydroxyethyl]-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthrene-3,17-diol C21H36O3
(3S,8R,9S,10S,13S,14S,17R)-17-[(1S)-1-hydroxyethyl]-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthrene-3,17-diol C21H36O3
Isomers (same molecular formula)
(3S,5S,8R,9S,10S,13S,14S,16R,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]phenanthrene-3,16-diol C21H36O3
ethyl 9-(3-methyl-5-pentylfuran-2-yl)nonanoate C21H36O3
2,4,6-tricyclohexyl-1,3,5-trioxane C21H36O3
(3S,5S,6S,8S,9S,10R,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]phenanthrene-3,6-diol C21H36O3
oxiran-2-ylmethyl (9Z,12Z)-octadeca-9,12-dienoate C21H36O3
oxiran-2-ylmethyl (9Z,12Z)-2,2,3,3,4-pentadeuteriooctadeca-9,12-dienoate C21H36O3
(3S,5S,8R,9S,10S,13S,14S,17S)-2-(hydroxymethyl)-10,13,17-trimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthrene-3,17-diol C21H36O3
11-(3-methyl-5-pentylfuran-2-yl)undecanoic acid C21H36O3

Related products in this category

Balofloxacin (Standard) MedChemExpress CAS 127294-70-6
Lafutidine, 99.56% MedChemExpress CAS 118288-08-7
Lafutidine (Standard) MedChemExpress CAS 118288-08-7
Duloxetine, 99.92% MedChemExpress CAS 116539-59-4
Duloxetine (hydrochloride), 99.97% MedChemExpress CAS 136434-34-9
Duloxetine (hydrochloride) (Standard) MedChemExpress CAS 136434-34-9
(R)-Duloxetine MedChemExpress CAS 116539-60-7
(R)-Duloxetine (hydrochloride) MedChemExpress CAS 910138-96-4
(±)-Duloxetine (hydrochloride) MedChemExpress CAS 947316-47-4