Products 2042-58-2

CAS 2042-58-2 is the registry number for 12β-Hydroxyresibufogenin. Offered by: MedChemExpress. Available pack sizes: Get quote.

12β-Hydroxyresibufogenin
MedChemExpress
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  • Variants: 1
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Structural formula: {0} (CAS {1})

5-[(1R,2S,4R,6R,7S,8R,10S,11S,14S,16R)-8,14-dihydroxy-7,11-dimethyl-3-oxapentacyclo[8.8.0.02,4.02,7.011,16]octadecan-6-yl]pyran-2-one (CAS 2042-58-2) is a chemical compound with the molecular formula C24H32O5 and a molecular weight of 400.5 g/mol. IUPAC name: 5-[(1R,2S,4R,6R,7S,8R,10S,11S,14S,16R)-8,14-dihydroxy-7,11-dimethyl-3-oxapentacyclo[8.8.0.02,4.02,7.011,16]octadecan-6-yl]pyran-2-one. InChIKey: DUDKFSOZKFNNCE-FEHGIAQLSA-N.

Identity
Molecular formulaC24H32O5
Molecular weight400.5 g/mol
IUPAC name5-[(1R,2S,4R,6R,7S,8R,10S,11S,14S,16R)-8,14-dihydroxy-7,11-dimethyl-3-oxapentacyclo[8.8.0.02,4.02,7.011,16]octadecan-6-yl]pyran-2-one
InChIKeyDUDKFSOZKFNNCE-FEHGIAQLSA-N
SMILESC[C@]12CC[C@@H](C[C@H]1CC[C@@H]3[C@@H]2C[C@H]([C@]4([C@]35[C@H](O5)C[C@@H]4C6=COC(=O)C=C6)C)O)O

Computed by PubChem (NCBI)

Synonyms: 12beta-hydroxyresibufogenin, 12-beta-Hydroxyresibufogenin, 3beta,12beta-dihydroxy-14beta,15beta-epoxy-5beta-bufa-20,22-dienolide, (3-beta,5-beta,12-beta,15-beta)-3,12-Dihydroxy-14,15-epoxybufa-20,22-dienolide, hydroxyl-resibufogenin, 12beta-hydroxylresibufogenin, orb2663451
Isomers (same molecular formula)
methyl (7R,8R,9S,10R,13S,14S,17R)-10,13-dimethyl-3,5'-dioxospiro[2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-17,2'-oxolane]-7-carboxylate C24H32O5
[2-[(8S,10R,13S,14S,17R)-17-hydroxy-3-methoxy-10,13-dimethyl-1,2,7,8,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate C24H32O5
[2-[(8R,9S,10R,13S,14S,16R,17R)-17-hydroxy-10,13,16-trimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate C24H32O5
[2-[(8S,10S,13S,14S,17R)-17-hydroxy-10,13-dimethyl-3-oxo-2,6,7,8,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] propanoate C24H32O5
(2R,3R,5S)-2-hydroxy-8-(4-methoxyphenoxy)-3,5-dimethyl-1-phenylmethoxyoctan-4-one C24H32O5
[(2R,8R,9S,10R,13S,14S,17R)-17-acetyl-2-hydroxy-6,10,13-trimethyl-3-oxo-2,8,9,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate C24H32O5
5-[(1R,2S,4R,6R,7R,10S,11R,14S,16S)-14,16-dihydroxy-7,11-dimethyl-3-oxapentacyclo[8.8.0.02,4.02,7.011,16]octadecan-6-yl]pyran-2-one C24H32O5
[(8R,9S,10R,13S,14S,17R)-17-acetyl-6-(hydroxymethyl)-10,13-dimethyl-3-oxo-2,8,9,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate C24H32O5
[(8S,9S,10R,11S,13S,14S,17R)-17-acetyl-11-hydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl] propanoate C24H32O5
17-acetyl-7-hydroxy-4,4,10,13,14-pentamethyl-1,2,5,6,7,12,16,17-octahydrocyclopenta[a]phenanthrene-3,11,15-trione C24H32O5
5-[(1R,2S,4R,5R,6R,7R,10S,11S,14S,16R)-5,14-dihydroxy-7,11-dimethyl-3-oxapentacyclo[8.8.0.02,4.02,7.011,16]octadecan-6-yl]pyran-2-one C24H32O5
(1S,4R,5R,9R,10R,12R,13R,17R)-5,9-dimethyl-14,16-dioxo-19-propan-2-yl-15-oxapentacyclo[10.5.2.01,10.04,9.013,17]nonadec-18-ene-5-carboxylic acid C24H32O5

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