Products 80416-52-0

CAS 80416-52-0 appears in our catalog under these names: 13–O–p–Coumaroylplumieride, 13-O-p-Coumaroylplumieride. Offered by: GLPBio, TargetMol. Available pack sizes: 1mg, 5mg.

13–O–p–Coumaroylplumieride
GLPBio
  • size: 1mg
  • Variants: 1
from 2427.12
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13-O-p-Coumaroylplumieride
TargetMol
  • size: 5mg
  • Variants: 1
from 10281.01
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Structural formula: {0} (CAS {1})

Methyl (1S,4aS,7R,7aS)-4'-[1-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxyethyl]-5'-oxo-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyspiro[4a,7a-dihydro-1H-cyclopenta[c]pyran-7,2'-furan]-4-carboxylate (CAS 80416-52-0) is a chemical compound with the molecular formula C30H32O14 and a molecular weight of 616.6 g/mol. IUPAC name: methyl (1S,4aS,7R,7aS)-4'-[1-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxyethyl]-5'-oxo-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyspiro[4a,7a-dihydro-1H-cyclopenta[c]pyran-7,2'-furan]-4-carboxylate. InChIKey: WBCMGDNFDRNGGZ-FKYHQWBNSA-N.

Identity
Molecular formulaC30H32O14
Molecular weight616.6 g/mol
IUPAC namemethyl (1S,4aS,7R,7aS)-4'-[1-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxyethyl]-5'-oxo-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyspiro[4a,7a-dihydro-1H-cyclopenta[c]pyran-7,2'-furan]-4-carboxylate
InChIKeyWBCMGDNFDRNGGZ-FKYHQWBNSA-N
SMILESCC(C1=C[C@@]2(C=C[C@H]3[C@@H]2[C@@H](OC=C3C(=O)OC)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)OC1=O)OC(=O)/C=C/C5=CC=C(C=C5)O

Computed by PubChem (NCBI)

Synonyms: Plumieride coumarate glucoside, 13-O-p-Coumaroylplumieride