Products 173693-57-7

CAS 173693-57-7 is the registry number for Somnifericin. Offered by: Biosynth, MedChemExpress. Available pack sizes: 10mg, 50mg, 25mg, Get quote.

Somnifericin
Biosynth, MedChemExpress
  • size: 10mg, 50mg, 25mg, Get quote
  • Variants: 4
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Structural formula: {0} (CAS {1})

(2R)-5-(hydroxymethyl)-4-methyl-2-[(1S)-1-[(4S,5R,6S,8S,9S,10R,13S,14S,17R)-4,5,6-trihydroxy-10,13-dimethyl-1-oxo-3,4,6,7,8,9,11,12,14,15,16,17-dodecahydro-2H-cyclopenta[a]phenanthren-17-yl]ethyl]-2,3-dihydropyran-6-one (CAS 173693-57-7) is a chemical compound with the molecular formula C28H42O7 and a molecular weight of 490.6 g/mol. IUPAC name: (2R)-5-(hydroxymethyl)-4-methyl-2-[(1S)-1-[(4S,5R,6S,8S,9S,10R,13S,14S,17R)-4,5,6-trihydroxy-10,13-dimethyl-1-oxo-3,4,6,7,8,9,11,12,14,15,16,17-dodecahydro-2H-cyclopenta[a]phenanthren-17-yl]ethyl]-2,3-dihydropyran-6-one. InChIKey: RYHUVBZFHPPSHQ-DAKZBPTQSA-N.

Identity
Molecular formulaC28H42O7
Molecular weight490.6 g/mol
IUPAC name(2R)-5-(hydroxymethyl)-4-methyl-2-[(1S)-1-[(4S,5R,6S,8S,9S,10R,13S,14S,17R)-4,5,6-trihydroxy-10,13-dimethyl-1-oxo-3,4,6,7,8,9,11,12,14,15,16,17-dodecahydro-2H-cyclopenta[a]phenanthren-17-yl]ethyl]-2,3-dihydropyran-6-one
InChIKeyRYHUVBZFHPPSHQ-DAKZBPTQSA-N
SMILESCC1=C(C(=O)O[C@H](C1)[C@@H](C)[C@H]2CC[C@@H]3[C@@]2(CC[C@H]4[C@H]3C[C@@H]([C@]5([C@@]4(C(=O)CC[C@@H]5O)C)O)O)C)CO

Computed by PubChem (NCBI)

Synonyms: Somnifericin, orb1680217
Isomers (same molecular formula)
[(3S,8S,9R,10R,12R,13S,14R,17S)-17-acetyl-3,8,14,17-tetrahydroxy-10,13-dimethyl-1,2,3,4,7,9,11,12,15,16-decahydrocyclopenta[a]phenanthren-12-yl] (E)-3,4-dimethylpent-2-enoate C28H42O7
methyl (4R)-4-[(4S,5R,7S,10S,13R,14R,15S,17R)-7,15-dihydroxy-4-(hydroxymethyl)-4,10,13,14-tetramethyl-3,11-dioxo-2,5,6,7,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate C28H42O7
[(3S,8R,9S,10R,11S,12S,13S,14S,17S)-17-acetyl-11-acetyloxy-3,14-dihydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-12-yl] 3-methylbutanoate C28H42O7
5-[(1R)-1-[(1S,4R,4aR,6R,8aS)-4-hydroxy-6-(2-hydroxypropan-2-yl)-4,8a-dimethyl-1,2,3,4a,5,6,7,8-octahydronaphthalen-1-yl]-3-methylbutyl]-2,4,6-trihydroxybenzene-1,3-dicarbaldehyde C28H42O7
5-[1-[(1S,4R,4aR,6R,8aS)-4-hydroxy-6-(2-hydroxypropan-2-yl)-4,8a-dimethyl-1,2,3,4a,5,6,7,8-octahydronaphthalen-1-yl]-3-methylbutyl]-2,4,6-trihydroxybenzene-1,3-dicarbaldehyde C28H42O7