Products 545-52-8

CAS 545-52-8 appears in our catalog under these names: (3α,5β)-3,14-Dihydroxycard-20(22)-enolide, ≥95%, ≥95%, 3-epi-Digitoxigenin. Offered by: Chemat, MedChemExpress. Available pack sizes: 5mg, 1 mg, 5 mg, 10 mg.

(3α,5β)-3,14-Dihydroxycard-20(22)-enolide, ≥95%, ≥95%
Chemat
  • size: 5mg
  • Variants: 1
from 4941.20
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3-epi-Digitoxigenin
MedChemExpress
  • size: 1 mg, 5 mg, 10 mg
  • Variants: 3
from 2349.12
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Structural formula: {0} (CAS {1})

3-[(3R,5R,8R,9S,10S,13R,14S,17R)-3,14-dihydroxy-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 (CAS 545-52-8) is a chemical compound with the molecular formula C23H34O4 and a molecular weight of 374.5 g/mol. IUPAC name: 3-[(3R,5R,8R,9S,10S,13R,14S,17R)-3,14-dihydroxy-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. InChIKey: XZTUSOXSLKTKJQ-CTZIAKJASA-N.

Identity
Molecular formulaC23H34O4
Molecular weight374.5 g/mol
IUPAC name3-[(3R,5R,8R,9S,10S,13R,14S,17R)-3,14-dihydroxy-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
InChIKeyXZTUSOXSLKTKJQ-CTZIAKJASA-N
SMILESC[C@]12CC[C@H](C[C@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@@]3(CC[C@@H]4C5=CC(=O)OC5)O)C)O

Computed by PubChem (NCBI)

Synonyms: (3alpha,5beta)-3,14-Dihydroxycard-20(22)-enolide, 3-epi-digitoxigenin, 3-Epidigitoxigenin, epi-Digitoxigenin, 3-alpha-Digitoxigenin, 3-alpha-Hydroxydigitoxigenin, (3|A,5|A)-3,14-Dihydroxycard-20(22)-enolide, 3alpha,14-Dihydroxy-5beta-card-20(22)-enolide, orb1941410, (3-alpha,5-beta)-3,14-Dihydroxycard-20(22)-enolide
Related forms of this compound
3-[(3R,5S,10S,13R,14S,17R)-3,14-dihydroxy-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 C23H34O4
3-[(3S,5R,8R,9S,10S,13R,14S,17R)-3,14-dihydroxy-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 C23H34O4
3-[(3S,5S,8R,9S,10S,13R,14S,17R)-3,14-dihydroxy-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 C23H34O4
Isomers (same molecular formula)
(3aS,9aS,9bS)-3a-methyl-6-[2-(2,5,5-trimethyl-1,3-dioxan-2-yl)ethyl]-1,2,4,5,8,9,9a,9b-octahydrocyclopenta[a]naphthalene-3,7-dione C23H34O4
(3R)-3-[(1R,3aS,4E,7aR)-4-[(2Z)-2-[(3S,5R)-3,5-dihydroxy-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]butanoic acid C23H34O4
[(1R)-1-[(8R,9S,10R,13S,14S,17R)-17-hydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]ethyl] acetate C23H34O4
[(8R,9S,10R,13S,14S,17R)-17-[(1S)-1-hydroxyethyl]-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate C23H34O4
(1R,2S,4R,6S,7S,10S,11R,14S)-7,11-dimethyl-6-(2-methyl-1,3-dioxolan-2-yl)-5-oxapentacyclo[8.8.0.02,7.04,6.011,16]octadec-16-en-14-ol C23H34O4
10-ethoxy-6,6,9-trimethyl-3-pentyl-8,10-dihydro-7H-benzo[c]chromene-1,9-diol C23H34O4
[(3S,8R,9S,10R,13S,14S,17R)-17-acetyl-3-hydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl] acetate C23H34O4
[(3S,8R,9S,10R,13S,14S,17S)-17-acetyloxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate C23H34O4
[2-[(3S,8S,9S,10R,13S,14S,17S)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate C23H34O4