4-((3S,5R,8R,9S,10S,12R,13S,14S,17R)-3,12,14-Trihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)furan-2(5H)-one, 98%

cas: 1672-46-4 — zobacz wszystkie produkty o tym numerze CAS, także pod innymi nazwami

4-((3S,5R,8R,9S,10S,12R,13S,14S,17R)-3,12,14-Trihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)furan-2(5H)-one, 98% (CAS 1672-46-4) to odczynnik chemiczny dostępny w ofercie Chemat. Dostępne opakowania: 50mg, 100mg, 250mg. Oferty producentów: BLDpharm.

• 2D
• 3D

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 (CAS 1672-46-4) to związek chemiczny o wzorze sumarycznym C23H34O5 i masie molowej 390.5 g/mol. Nazwa systematyczna IUPAC: 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. InChIKey: SHIBSTMRCDJXLN-KCZCNTNESA-N.

Dane identyfikacyjne

Wzór sumaryczny	C23H34O5
Masa molowa	390.5 g/mol
Nazwa IUPAC	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
InChIKey	SHIBSTMRCDJXLN-KCZCNTNESA-N
SMILES	C[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

Dane obliczone przez PubChem (NCBI)

Synonimy: 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

Izomery (ten sam wzór sumaryczny)

(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