Picroside III

cas: 64461-95-6 — see every product listed under this CAS number, including other names

Picroside III (CAS 64461-95-6) is a chemical reagent available from Chemat. Available pack sizes: 10mg, 5mg. Offered by: GLPBio.

brandGLPBio
catalog numberGN10238-10
cas64461-95-6
size10mg
Need more information?

Ask us about this product — we're happy to help.

Available pack sizes

brand size price
GLPBio 10mg 901.27 Pln
GLPBio 5mg 709.37 Pln

properties

purityNo data
delivery timeTo be confirmed by Chemat
Structural formula: {0} (CAS {1})

[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[[(1S,2S,4S,5S,6R,10S)-5-hydroxy-2-(hydroxymethyl)-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-10-yl]oxy]oxan-2-yl]methyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate (CAS 64461-95-6) is a chemical compound with the molecular formula C25H30O13 and a molecular weight of 538.5 g/mol. IUPAC name: [(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[[(1S,2S,4S,5S,6R,10S)-5-hydroxy-2-(hydroxymethyl)-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-10-yl]oxy]oxan-2-yl]methyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate. InChIKey: DPHFMUYFANVRJL-JCUBBWBISA-N.

Identity
Molecular formulaC25H30O13
Molecular weight538.5 g/mol
IUPAC name[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[[(1S,2S,4S,5S,6R,10S)-5-hydroxy-2-(hydroxymethyl)-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-10-yl]oxy]oxan-2-yl]methyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
InChIKeyDPHFMUYFANVRJL-JCUBBWBISA-N
SMILESCOC1=C(C=CC(=C1)/C=C/C(=O)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)O[C@H]3[C@H]4[C@@H](C=CO3)[C@@H]([C@H]5[C@@]4(O5)CO)O)O)O)O)O

Computed by PubChem (NCBI)

Synonyms: Picroside III, PicrosideIII, orb1301326, ACon1_002011, Picroside III, >=95% (LC/MS-ELSD)
Isomers (same molecular formula)
methyl (1S,3S,7S,12R,15R,16S,17S,18R,20E)-12-(3,4-dihydroxyphenyl)-20-ethylidene-16,17,18-trihydroxy-9-oxo-2,4,10,13,19-pentaoxatricyclo[13.3.1.13,7]icos-5-ene-6-carboxylate C25H30O13
[(1S,2S,4S,5S,6R,10S)-2-(hydroxymethyl)-10-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-5-yl] (E)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoate C25H30O13
(2S,3R,4S)-4-[2-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxyethyl]-3-ethenyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-5-carboxylic acid C25H30O13
[(1S,2S,4S,5S,6R,10S)-2-(hydroxymethyl)-10-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-5-yl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate C25H30O13
(1S,3S,4S,5R,6R,7R)-1-[(4S,5R)-4-acetyloxy-5-methyl-3-methylidene-6-phenylhexyl]-4,6,7-trihydroxy-2,8-dioxabicyclo[3.2.1]octane-3,4,5-tricarboxylic acid C25H30O13

Also listed as

Picroside III, >=95% (LC/MS-ELSD) Sigma-Aldrich CAS 64461-95-6
Picroside III/ 99.6% (existing batch purity) TargetMol CAS 64461-95-6
Picroside III (Standard) MedChemExpress CAS 64461-95-6
Picroside III, 99.59% MedChemExpress CAS 64461-95-6