Produkty 4029-65-6

CAS 4029-65-6 to numer rejestracyjny substancji 3-Oxo-bufalin. Oferty producentów: MedChemExpress. Dostępne opakowania: Get quote.

3-Oxo-bufalin
MedChemExpress
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Wzór strukturalny: {0} (CAS {1})

5-[(5R,8R,9S,10S,13R,14S,17R)-14-hydroxy-10,13-dimethyl-3-oxo-2,4,5,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pyran-2-one (CAS 4029-65-6) to związek chemiczny o wzorze sumarycznym C24H32O4 i masie molowej 384.5 g/mol. Nazwa systematyczna IUPAC: 5-[(5R,8R,9S,10S,13R,14S,17R)-14-hydroxy-10,13-dimethyl-3-oxo-2,4,5,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pyran-2-one. InChIKey: YHPFWEDUGHFFTA-PNERCMSUSA-N.

Dane identyfikacyjne
Wzór sumarycznyC24H32O4
Masa molowa384.5 g/mol
Nazwa IUPAC5-[(5R,8R,9S,10S,13R,14S,17R)-14-hydroxy-10,13-dimethyl-3-oxo-2,4,5,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pyran-2-one
InChIKeyYHPFWEDUGHFFTA-PNERCMSUSA-N
SMILESC[C@]12CCC(=O)C[C@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@@]3(CC[C@@H]4C5=COC(=O)C=C5)O)C

Dane obliczone przez PubChem (NCBI)

Synonimy: Bufalone, 3-keto-bufalin, 3-Oxo-bufalin, 5beta-Bufa-20,22-dienolide, 14-hydroxy-3-oxo-, orb2663477, YHPFWEDUGHFFTA-PNERCMSUSA-N, Bufa-20,22-dienolide, 14-hydroxy-3-oxo-, (5beta)-
Izomery (ten sam wzór sumaryczny)
(3-dodecyl-1,4-dioxonaphthalen-2-yl) acetate C24H32O4
[(1S,4aS,4bR,10aR,10bS,12aS)-1,6,10a,12a-tetramethyl-2,8-dioxo-4,4a,4b,9,10,10b,11,12-octahydro-3H-chrysen-1-yl] acetate C24H32O4
[(8R,9S,10R,13S,14S,17R)-17-acetyl-10,13-dimethyl-6-methylidene-3-oxo-1,2,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl] acetate C24H32O4
[(8R,9S,10R,13S,14S,17R)-17-acetyl-6,10,13-trimethyl-3-oxo-2,8,9,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate C24H32O4
(1R,2R,4R,5R,10R,11S,14S,15S,16S,18S,19S)-5-hydroxy-10,14-dimethylspiro[hexacyclo[9.8.0.02,4.05,10.014,19.016,18]nonadecane-15,5'-oxolane]-2',7-dione C24H32O4
[(8R,9S,10R,13S,14S,17R)-17-acetyl-10,13-dimethyl-3-oxo-6-(trideuteriomethyl)-2,8,9,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate C24H32O4
diethyl (2E,4E,6E,8E,10E,12E,14E)-2,6,11,15-tetramethylhexadeca-2,4,6,8,10,12,14-heptaenedioate C24H32O4
(8R,9S,13S,14S,17S)-3-methoxy-13-methyl-17-(oxan-2-yloxy)-8,9,11,12,14,15,16,17-octahydro-7H-cyclopenta[a]phenanthren-6-one C24H32O4
[(8R,9S,13S,14S,17S)-13-methyl-3-propanoyloxy-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] propanoate C24H32O4
[(3S,8R,9S,10R,13S,14S,17R)-17-acetyloxy-17-ethynyl-13-methyl-2,3,6,7,8,9,10,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate C24H32O4
5-[(1R,2S,4R,6R,7R,10S,11S,14S,16R)-14-hydroxy-7,11-dimethyl-3-oxapentacyclo[8.8.0.02,4.02,7.011,16]octadecan-6-yl]pyran-2-one C24H32O4
5-[(3S,8R,9S,10R,13R,14S,17R)-3,14-dihydroxy-10,13-dimethyl-1,2,3,6,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pyran-2-one C24H32O4

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