17α–Hydroxydigitoxigenin

cas: 26629-41-4 — see every product listed under this CAS number, including other names

17α–Hydroxydigitoxigenin (CAS 26629-41-4) is a chemical reagent available from Chemat. Available pack sizes: 1mg. Offered by: GLPBio.

brandGLPBio
catalog numberGC70275-1
cas26629-41-4
size1mg
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Available pack sizes

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GLPBio 1mg 1345.92 Pln

properties

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Structural formula: {0} (CAS {1})

3-[(3S,5R,8R,9S,10S,13S,14S,17S)-3,14,17-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one (CAS 26629-41-4) is a chemical compound with the molecular formula C23H34O5 and a molecular weight of 390.5 g/mol. IUPAC name: 3-[(3S,5R,8R,9S,10S,13S,14S,17S)-3,14,17-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one. InChIKey: PBAPWFMQSGITBY-IKVCRZIASA-N.

Identity
Molecular formulaC23H34O5
Molecular weight390.5 g/mol
IUPAC name3-[(3S,5R,8R,9S,10S,13S,14S,17S)-3,14,17-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
InChIKeyPBAPWFMQSGITBY-IKVCRZIASA-N
SMILESC[C@]12CC[C@@H](C[C@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@@]3(CC[C@@]4(C5=CC(=O)OC5)O)O)C)O

Computed by PubChem (NCBI)

Synonyms: 17-Hydroxydigitoxigenin, 17|A-Hydroxydigitoxigenin, 17alpha-Hydroxydigitoxigenin, 17|_-Hydroxydigitoxigenin, orb1306501, Card-20(22)-enolide, 3,14,17-trihydroxy-, (3|A,5|A)- (9CI)
Isomers (same molecular formula)
(Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(3R)-3-hydroxy-5-phenylpentyl]cyclopentyl]hept-5-enoic acid C23H34O5
(Z)-3,3,4,4-tetradeuterio-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(3R)-3-hydroxy-5-phenylpentyl]cyclopentyl]hept-5-enoic acid C23H34O5
[(1S,3R,7S,8S,8aR)-8-[2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] 2-methylpropanoate C23H34O5
2-[[(1S,2S,3aR,9aR)-2-hydroxy-1-[(3R)-3-hydroxyoctyl]-2,3,3a,4,9,9a-hexahydro-1H-cyclopenta[g]naphthalen-5-yl]oxy]acetic acid C23H34O5
2-[[(1S,2S,3aR,9aR)-2-hydroxy-1-[(3S)-3-hydroxyoctyl]-2,3,3a,4,9,9a-hexahydro-1H-cyclopenta[g]naphthalen-5-yl]oxy]acetic acid C23H34O5
2-[[(1R,2R,3aS,9aS)-2-hydroxy-1-[(3S)-3-hydroxyoctyl]-2,3,3a,4,9,9a-hexahydro-1H-cyclopenta[g]naphthalen-5-yl]oxy]acetic acid C23H34O5
[(1S,7S,8S,8aR)-8-[2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-7-methyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] (2S)-2-methylbutanoate C23H34O5
3-[(3S,5R,8R,9S,10S,12R,13S,14S,17R)-3,12,14-trihydroxy-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 C23H34O5
3-[(3S,5R,8R,9S,10S,13R,14S,16S,17R)-3,14,16-trihydroxy-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 C23H34O5
2-[[(1R,2R,3aS,9aS)-2-hydroxy-1-[(3R)-3-hydroxyoctyl]-2,3,3a,4,9,9a-hexahydro-1H-cyclopenta[g]naphthalen-5-yl]oxy]acetic acid C23H34O5
(E)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(3R)-3-hydroxy-5-phenylpentyl]cyclopentyl]hept-5-enoic acid C23H34O5
(3E,4S)-3-[2-[(2aS,4aS,5R,8aS,8bR)-2a-hydroxy-8b-(hydroxymethyl)-2,2,4a-trimethyl-6-methylidene-3,4,5,7,8,8a-hexahydro-1H-cyclobuta[a]naphthalen-5-yl]ethylidene]-4-hydroxyoxolan-2-one C23H34O5

Also listed as

PST2286/ 99.22% (existing batch purity) TargetMol CAS 26629-41-4
17α-Hydroxydigitoxigenin Chemat CAS 26629-41-4