Bersaldegenin 3-acetate

cas: 23044-72-6 — see every product listed under this CAS number, including other names

Bersaldegenin 3-acetate (CAS 23044-72-6) is a chemical reagent available from Chemat. Available pack sizes: 10MG. Offered by: Sigma-Aldrich.

brandSigma-Aldrich
catalog numberPHL86779-10MG
cas23044-72-6
size10MG
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Sigma-Aldrich 10MG 2261.00 Pln
Structural formula: {0} (CAS {1})

[10-formyl-1,5,14-trihydroxy-13-methyl-17-(6-oxopyran-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate (CAS 23044-72-6) is a chemical compound with the molecular formula C26H34O8 and a molecular weight of 474.5 g/mol. IUPAC name: [10-formyl-1,5,14-trihydroxy-13-methyl-17-(6-oxopyran-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate. InChIKey: BSHOWDODIUWLNU-UHFFFAOYSA-N.

Identity
Molecular formulaC26H34O8
Molecular weight474.5 g/mol
IUPAC name[10-formyl-1,5,14-trihydroxy-13-methyl-17-(6-oxopyran-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
InChIKeyBSHOWDODIUWLNU-UHFFFAOYSA-N
SMILESCC(=O)OC1CC(C2(C3CCC4(C(CCC4(C3CCC2(C1)O)O)C5=COC(=O)C=C5)C)C=O)O

Computed by PubChem (NCBI)

Synonyms: 3-(acetyloxy)-1,5,14-trihydroxy-19-oxobufa-20,22-dienolide, 3beta-(Acetyloxy)-1beta,5,14-trihydroxy-19-oxo-5beta-bufa-20,22-dienolide
Isomers (same molecular formula)
4-[[(6S,8S,9S,10R,11S,13S,14S,17R)-11-hydroxy-17-(2-hydroxyacetyl)-6,10,13-trimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]oxy]-4-oxobutanoic acid C26H34O8
4-[2-[(6R,8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-6,10,13-trimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethoxy]-4-oxobutanoic acid C26H34O8
4-[2-[(6S,8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-6,10,13-trimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethoxy]-4-oxobutanoic acid C26H34O8
(2S,3S,4S,5R,6S)-6-[[(8R,9S,10R,13S,14S,17R)-17-ethynyl-13-methyl-3-oxo-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid C26H34O8
[2-[(8S,9S,10R,11S,13S,14S,17R)-17-ethoxycarbonyloxy-11-hydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate C26H34O8
(1R,2R,4S,7S,8S,10S,11R,12R,13S,16R)-7-(furan-3-yl)-10-hydroxy-13-methoxy-1,8,12,13,15,15-hexamethyl-3,6,14-trioxapentacyclo[9.7.0.02,4.02,8.012,16]octadecane-5,18-dione C26H34O8
3,5-dihydroxy-6,6-dimethyl-2-(2-methylbutanoyl)-4-[[2,4,6-trihydroxy-3-methyl-5-(2-methylbutanoyl)phenyl]methyl]cyclohexa-2,4-dien-1-one C26H34O8