Products 4931-97-9

CAS 4931-97-9 is the registry number for N-(2,3-Dihydro-1,3-dioxo-2-(2-pyridinyl)-1H-benz(de)isoquinolin-6-yl)acetamide. Offered by: TRC. Available pack sizes: 250mg.

N-(2,3-Dihydro-1,3-dioxo-2-(2-pyridinyl)-1H-benz(de)isoquinolin-6-yl)acetamide
TRC
  • size: 250mg
  • Variants: 1
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Structural formula: {0} (CAS {1})

2-(11,17-dihydroxy-1,4,8,12-tetramethyl-18-oxo-16-bicyclo[13.3.0]octadeca-3,7,16-trienyl)propyl acetate (CAS 4931-97-9) is a chemical compound with the molecular formula C27H42O5 and a molecular weight of 446.6 g/mol. IUPAC name: 2-(11,17-dihydroxy-1,4,8,12-tetramethyl-18-oxo-16-bicyclo[13.3.0]octadeca-3,7,16-trienyl)propyl acetate. InChIKey: NXAIHHHELDCRMP-UHFFFAOYSA-N.

Identity
Molecular formulaC27H42O5
Molecular weight446.6 g/mol
IUPAC name2-(11,17-dihydroxy-1,4,8,12-tetramethyl-18-oxo-16-bicyclo[13.3.0]octadeca-3,7,16-trienyl)propyl acetate
InChIKeyNXAIHHHELDCRMP-UHFFFAOYSA-N
SMILESCC1CCC2C(=C(C(=O)C2(CC=C(CCC=C(CCC1O)C)C)C)O)C(C)COC(=O)C

Computed by PubChem (NCBI)

Isomers (same molecular formula)
(1S,2S,4S,5'R,6R,7S,8R,9S,12S,13R,16S,18R)-16,18-dihydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-19-one C27H42O5
methyl (4R)-4-[(3R,5R,8R,9S,10S,13R,14S,17R)-3-acetyloxy-10,13-dimethyl-12-oxo-1,2,3,4,5,6,7,8,9,11,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoate C27H42O5
(6R)-6-[(7R,8R,9S,10R,12S,13R,14S,17R)-7,12-dihydroxy-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]-2-methylheptanoic acid C27H42O5
methyl (4R)-4-[(3R,5S,8R,9S,10S,13R,14S,17R)-3-acetyloxy-10,13-dimethyl-7-oxo-1,2,3,4,5,6,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoate C27H42O5