Products 64461-95-6

CAS 64461-95-6 appears in our catalog under these names: Picroside III, Picroside III/ 99.6% (existing batch purity), Picroside III (Standard), Picroside III, 99.59%. Offered by: GLPBio, TargetMol, MedChemExpress. Available pack sizes: 10mg, 5mg, 25mg, Get quote, 10 mg, 5 mg, 25 mg.

Picroside III
GLPBio
  • size: 10mg, 5mg
  • Variants: 2
from 709.37
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Picroside III/ 99.6% (existing batch purity)
TargetMol
  • size: 5mg, 10mg, 25mg
  • Variants: 3
from 545.46
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Picroside III (Standard)
MedChemExpress
  • size: Get quote
  • Variants: 1
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Picroside III, 99.59%
MedChemExpress
  • size: 10 mg, 5 mg, 25 mg
  • Variants: 3
from 454.37
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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)