Products 221660-27-1

CAS 221660-27-1 appears in our catalog under these names: Isolugrandoside, Isolugrandoside/ 99.62% (existing batch purity), Isolugrandoside, 98.04%. Offered by: GLPBio, TargetMol, Chemat, MedChemExpress. Available pack sizes: 1mg, 5mg, 10mg, 25mg, 50mg, 20mg, 100mg, 5 mg.

Isolugrandoside
GLPBio, Chemat
  • size: 1mg, 20mg, 100mg
  • Variants: 4
from 947.60
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Isolugrandoside/ 99.62% (existing batch purity)
TargetMol
  • size: 1mg, 5mg, 10mg, 25mg
  • Variants: 5
from 1129.62
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Isolugrandoside, 98.04%
MedChemExpress
  • size: 5 mg, 1 mg
  • Variants: 2
from 937.34
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Structural formula: {0} (CAS {1})

[(2R,3R,4S,5R,6R)-2-[2-(3,4-dihydroxyphenyl)ethoxy]-3,5-dihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-4-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate (CAS 221660-27-1) is a chemical compound with the molecular formula C29H36O16 and a molecular weight of 640.6 g/mol. IUPAC name: [(2R,3R,4S,5R,6R)-2-[2-(3,4-dihydroxyphenyl)ethoxy]-3,5-dihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-4-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate. InChIKey: JOIWQICOBJLMOP-HPIISDRLSA-N.

Identity
Molecular formulaC29H36O16
Molecular weight640.6 g/mol
IUPAC name[(2R,3R,4S,5R,6R)-2-[2-(3,4-dihydroxyphenyl)ethoxy]-3,5-dihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-4-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
InChIKeyJOIWQICOBJLMOP-HPIISDRLSA-N
SMILESC1=CC(=C(C=C1CCO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)OC(=O)/C=C/C4=CC(=C(C=C4)O)O)O)O)O

Computed by PubChem (NCBI)

Synonyms: Isolugrandoside, orb1296875
Isomers (same molecular formula)
[(2R,3R,4R,5R,6R)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxy-2-(hydroxymethyl)-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate C29H36O16
[(2R,3R,4S,5R,6R)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-3,5-dihydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate C29H36O16
[(2R,3S,4R,5R,6R)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-4,5-dihydroxy-2-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate C29H36O16