Products 1672-46-4

CAS 1672-46-4 appears in our catalog under these names: Digoxigenin, Digoxigenin, >95% (HPLC), Digoxigenin/ 98.54% (existing batch purity), Digoxigenin 98%, Digoxigenin, 99.70%. Offered by: Chemat Brand, TRC, TargetMol, Biosynth, Ambeed. Available pack sizes: on request, 250mg, 25mg, 50mg, 2mg, 0,25g, 0,025g, 1g.

Digoxigenin
Chemat Brand, Biosynth
  • size: on request, 0,25g, 0,025g, 1g
  • Variants: 6
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Digoxigenin, >95% (HPLC)
TRC
  • size: 250mg, 25mg, 50mg
  • Variants: 3
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Digoxigenin/ 98.54% (existing batch purity)
TargetMol
  • size: 2mg
  • Variants: 1
from 379.44
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Digoxigenin 98%
Ambeed
  • size: 1mg, 10mg, 50mg, 100mg
  • Variants: 5
from 225.75
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Digoxigenin, 99.70%
MedChemExpress
  • size: 5 mg, 50 mg, 10 mg, 10mM/1mL
  • Variants: 4
from 273.25
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Digoxigenin (Standard)
MedChemExpress
  • size: 50 mg, 100 mg, 5 mg, 10 mg
  • Variants: 5
from 551.89
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Structural formula: {0} (CAS {1})

Digoxigenin is a hydroxy steroid that consists of 5beta-cardanolide having a double bond at the 20(22)-position as well as hydroxy groups at the 3beta-, 12beta- and 14beta-positions. It has been isolated from the plant species of the genus Digitalis. It has a role as a hapten and a plant metabolite. It is a 3beta-sterol, a 3beta-hydroxy steroid, a 12beta-hydroxy steroid and a 14beta-hydroxy steroid. It is a conjugate acid of a digoxigenin(1-). It derives from a hydride of a 5beta-cardanolide.

Source: ChEBI

Identity
Molecular formulaC23H34O5
Molecular weight390.5 g/mol
IUPAC name3-[(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
InChIKeySHIBSTMRCDJXLN-KCZCNTNESA-N
SMILESC[C@]12CC[C@@H](C[C@H]1CC[C@@H]3[C@@H]2C[C@H]([C@]4([C@@]3(CC[C@@H]4C5=CC(=O)OC5)O)C)O)O

Computed by PubChem (NCBI)

Synonyms: Digoxigenin, Lanadigenin, Digoxigenine, Card-20(22)-enolide, 3,12,14-trihydroxy-, (3beta,5beta,12beta)-, 3beta,12beta,14-trihydroxy-5beta-card-20(22)-enolide, Lanadigigenin, 3beta,12beta,14-Trihydroxy-5beta,20(22)-cardenolide, Card-20(22)-enolide, 3,12,14-trihydroxy-, (3ss,5ss,12ss)-, Digoxin EP Impurity C, Digoxigenin CRS
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,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
3-[(3S,5S,8R,9S,10R,13R,14S,17R)-3,5,14-trihydroxy-10,13-dimethyl-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one C23H34O5