Products 72514-90-0

CAS 72514-90-0 is the registry number for Specioside. Offered by: Biosynth, MedChemExpress. Available pack sizes: 25mg, 10mg, 5 mg, 1 mg.

Specioside
Biosynth, MedChemExpress
  • size: 25mg, 10mg, 5 mg, 1 mg
  • Variants: 4
from 1541.06
View product
Structural formula: {0} (CAS {1})

Specioside is a cinnamate ester.

Source: ChEBI

Identity
Molecular formulaC24H28O12
Molecular weight508.5 g/mol
IUPAC name[(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-hydroxyphenyl)prop-2-enoate
InChIKeySKNVKBJSSSJNCI-UIBFFPKISA-N
SMILESC1=CO[C@H]([C@H]2[C@@H]1[C@@H]([C@H]3[C@@]2(O3)CO)OC(=O)/C=C/C4=CC=C(C=C4)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O

Computed by PubChem (NCBI)

Synonyms: Specioside, 6-O-(p-Coumaroyl)catalpol, (-)-Specioside;6-O-(E)-p-Coumaroylcatalpol, 6-O-(E)-p-Coumaroylcatalpol, orb1681663
Isomers (same molecular formula)
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (2S,3R)-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-7-methoxy-2,3-dihydro-1-benzofuran-5-carboxylate C24H28O12
[(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-hydroxyphenyl)prop-2-enoate C24H28O12