Products 26121-56-2

CAS 26121-56-2 is the registry number for Picrasin B. Offered by: Biosynth, MedChemExpress. Available pack sizes: 25mg, 1mg, 5mg, 10mg, 50mg, 1 mg.

Picrasin B
Biosynth, MedChemExpress
  • size: 25mg, 1mg, 5mg, 10mg
  • Variants: 6
from 3431.17
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Structural formula: {0} (CAS {1})

Picrasin B is a triterpenoid.

Source: ChEBI

Identity
Molecular formulaC21H28O6
Molecular weight376.4 g/mol
IUPAC name(1S,2S,4S,6R,7S,9R,13R,17S)-4-hydroxy-15-methoxy-2,6,14,17-tetramethyl-10-oxatetracyclo[7.7.1.02,7.013,17]heptadec-14-ene-3,11,16-trione
InChIKeyGESOKLRVLMVNMO-WCAPFRRUSA-N
SMILESC[C@@H]1C[C@@H](C(=O)[C@]2([C@H]1C[C@@H]3[C@@]4([C@@H]2C(=O)C(=C([C@@H]4CC(=O)O3)C)OC)C)C)O

Computed by PubChem (NCBI)

Synonyms: picrasin B, Nigakilactone I, Picrasin-B, Nigakilactone I; Simalikalactone B, orb1681895, (2|A)-2-Hydroxy-12-methoxypicras-12-ene-1,11,16-trione
Isomers (same molecular formula)
(8R,9S,10R,11S,13S,14R,17R)-11,14,17-trihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-6,7,8,9,11,12,15,16-octahydrocyclopenta[a]phenanthren-3-one C21H28O6
(8S,9S,10R,11R,13S,14S,16R,17S)-11,16,17-trihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one C21H28O6
(8S,9S,10R,11S,13S,14S,16R,17S)-11,16,17-trihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one C21H28O6
(6R,8S,9S,10R,11S,13S,14S,17R)-6,11,17-trihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one C21H28O6
(6R,8S,9S,10R,13S,14S,17R)-6,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-1,2,6,7,8,9,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,11-dione C21H28O6
(6S,8S,9S,10R,13S,14S,17R)-6,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-1,2,6,7,8,9,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,11-dione C21H28O6
(8S,9S,10R,11S,13R,14S,17R)-11,17-dihydroxy-17-(2-hydroxyacetyl)-10-methyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-13-carbaldehyde C21H28O6
2-[(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoacetic acid C21H28O6
(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-1,2,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,6-dione C21H28O6
3-[4-[2-[4-(2,3-dihydroxypropoxy)phenyl]propan-2-yl]phenoxy]propane-1,2-diol C21H28O6
1,7-bis(4-hydroxy-3-methoxyphenyl)heptane-3,5-diol C21H28O6
(3R,5S)-1-(4-hydroxy-3,5-dimethoxyphenyl)-7-(4-hydroxyphenyl)heptane-3,5-diol C21H28O6