Ent-9-hydroxy-15-oxo-16-kauren-19-oic acid beta-D-glucopyranosyl ester

cas: 81263-96-9 — see every product listed under this CAS number, including other names

Ent-9-hydroxy-15-oxo-16-kauren-19-oic acid beta-D-glucopyranosyl ester (CAS 81263-96-9) is a chemical reagent available from Chemat. Available pack sizes: 10mg, 5mg, 25mg, 50mg. Offered by: Biosynth.

brandBiosynth
catalog numberGDA26396-10mg
cas81263-96-9
size10mg
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properties

categoryNatural Products
purityNo data
delivery time3-4 Weeks
Structural formula: {0} (CAS {1})

[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1R,4S,5R,9R,10R,13R)-10-hydroxy-5,9-dimethyl-14-methylidene-15-oxotetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylate (CAS 81263-96-9) is a chemical compound with the molecular formula C26H38O9 and a molecular weight of 494.6 g/mol. IUPAC name: [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1R,4S,5R,9R,10R,13R)-10-hydroxy-5,9-dimethyl-14-methylidene-15-oxotetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylate. InChIKey: PKAGWWDWHSCPAS-TULSSYLPSA-N.

Identity
Molecular formulaC26H38O9
Molecular weight494.6 g/mol
IUPAC name[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1R,4S,5R,9R,10R,13R)-10-hydroxy-5,9-dimethyl-14-methylidene-15-oxotetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylate
InChIKeyPKAGWWDWHSCPAS-TULSSYLPSA-N
SMILESC[C@]1(CCC[C@@]2([C@@H]1CC[C@]34[C@]2(CC[C@H](C3)C(=C)C4=O)O)C)C(=O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O

Computed by PubChem (NCBI)

Synonyms: ent-9-Hydroxy-15-oxo-16-kauren-19-oic acid beta-D-glucopyranosyl ester, ent-9-Hydroxy-15-oxokaur-16-en-19-oic acid beta-D-glucopyranosyl ester, orb1682668, ent-9-Hydroxy-15-oxokaur-16-en-19-oic acid |A-D-glucopyranosyl ester
Isomers (same molecular formula)
(4R,4aS,7S,10aR,11bR)-7-hydroxy-4,8,11b-trimethyl-4-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-2,3,4a,5,6,7,10a,11-octahydro-1H-naphtho[2,1-f][1]benzofuran-9-one C26H38O9
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1R,4S,5R,9R,10S,11S,13S)-11-hydroxy-5,9-dimethyl-14-methylidene-15-oxotetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylate C26H38O9
4-[(E)-2-[(1R,4aS,5R,6R,8aR)-6-hydroxy-5,8a-dimethyl-2-methylidene-5-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethenyl]-2H-furan-5-one C26H38O9
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1R,4aS,5R,8aS)-1,4a-dimethyl-6-methylidene-5-[2-(5-oxo-2H-furan-4-yl)ethyl]-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylate C26H38O9
3-[2-[(2S,3S,4R,6R,8R)-2-ethyl-4,8-dihydroxy-1,7-dioxaspiro[2.5]octan-6-yl]-3-methylpentanoyl]-2,6-dihydroxy-5-(1-methoxy-2-methylpropyl)benzaldehyde C26H38O9

Also listed as

ent-9-Hydroxy-15-oxokaur-16-en-19-oic acid β-D-glucopyranosyl ester MedChemExpress CAS 81263-96-9