3Alpha,17,20Beta-Trihydroxy-5Beta-pregnan-11-one

cas: 13933-74-9 — see every product listed under this CAS number, including other names

3Alpha,17,20Beta-Trihydroxy-5Beta-pregnan-11-one (CAS 13933-74-9) is a chemical reagent available from Chemat. Available pack sizes: 1mg, 5mg. Offered by: TRC.

brandTRC
catalog numberTRC-T795270-1MG
cas13933-74-9
size1mg
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Structural formula: {0} (CAS {1})

(3S,5R,8S,9S,10S,13S,14R,17R)-3,17-dihydroxy-17-[(1R)-1-hydroxyethyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-11-one (CAS 13933-74-9) is a chemical compound with the molecular formula C21H34O4 and a molecular weight of 350.5 g/mol. IUPAC name: (3S,5R,8S,9S,10S,13S,14R,17R)-3,17-dihydroxy-17-[(1R)-1-hydroxyethyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-11-one. InChIKey: WKFXHNDWEHDGQD-KJMZVMDWSA-N.

Identity
Molecular formulaC21H34O4
Molecular weight350.5 g/mol
IUPAC name(3S,5R,8S,9S,10S,13S,14R,17R)-3,17-dihydroxy-17-[(1R)-1-hydroxyethyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-11-one
InChIKeyWKFXHNDWEHDGQD-KJMZVMDWSA-N
SMILESC[C@H]([C@]1(CC[C@H]2[C@@]1(CC(=O)[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: 3a,17,20b-Trihydroxy-5b-pregnan-11-one, (3a,5ss,20R)-3,17,20-Trihydroxyprgnan-11-one, 3alpha,17,20beta-Trihydroxy-5beta-pregnan-11-one
Related forms of this compound
(3R,5R,8S,9S,10S,13S,14S,17R)-3,17-dihydroxy-17-[(1S)-1-hydroxyethyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-11-one C21H34O4
Isomers (same molecular formula)
1-[(3R,5R,8S,9S,10S,11S,13S,14S,17S)-3,11-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-hydroxyethanone C21H34O4
1-[(3R,5S,8S,9S,10S,11S,13S,14S,17S)-3,11-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-hydroxyethanone C21H34O4
1-[(3R,5R,8R,9S,10S,13S,14S,17R)-3,17-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2-hydroxyethanone C21H34O4
methyl (8E,11E,14E,17E)-5,6-dihydroxyicosa-8,11,14,17-tetraenoate C21H34O4
(3R,5R,8S,9S,10S,13S,14S,17S)-17-[(1R)-1,2-dihydroxyethyl]-3-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-11-one C21H34O4
(5E)-5-[(3aS,4R,5R,6aS)-5-hydroxy-4-[(E,3S)-3-hydroxyoct-1-enyl]-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-ylidene]pentanoic acid C21H34O4
1-[(3R,5S,8S,9S,10S,11S,13S,14S,17S)-3,11,17-trihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-yl]ethanone C21H34O4
1-[(3S,5S,8S,9S,10S,11S,13S,14S,17S)-3,11-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-hydroxyethanone C21H34O4
(3R,5R,8S,9S,10S,13S,14S,17S)-17-[(1S)-1,2-dihydroxyethyl]-3-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-11-one C21H34O4
(Z)-7-[(1S,4R,5S,6R)-5-[(E,3S)-3-hydroxyoct-1-enyl]-2-oxabicyclo[2.2.1]heptan-6-yl]hept-5-enoic acid C21H34O4
(Z)-7-[(1R,4S,5S,6R)-6-[(E,3S)-3-hydroxyoct-1-enyl]-2-oxabicyclo[2.2.1]heptan-5-yl]hept-5-enoic acid C21H34O4