Products 39011-91-1

CAS 39011-91-1 appears in our catalog under these names: Oxypaeoniflorin, Oxypaeoniflorin/ 99.72% (existing batch purity), Oxypaeoniflorin (Standard), Oxypaeoniflorin, 99.14%. Offered by: GLPBio, TargetMol, MedChemExpress. Available pack sizes: 20mg, 1mg, 2mg, 5mg, 10mg, 25mg, 50mg, 100mg.

Oxypaeoniflorin
GLPBio
  • size: 20mg
  • Variants: 1
from 929.36
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Oxypaeoniflorin/ 99.72% (existing batch purity)
TargetMol
  • size: 1mg, 2mg, 5mg, 10mg
  • Variants: 8
from 379.44
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Oxypaeoniflorin (Standard)
MedChemExpress
  • size: Get quote
  • Variants: 1
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Oxypaeoniflorin, 99.14%
MedChemExpress
  • size: 5 mg, 10 mg, 25 mg, 10mM/1mL
  • Variants: 4
from 1072.02
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Structural formula: {0} (CAS {1})

Oxypaeoniflorin is a monoterpene glycoside with formula C23H28O12, isolated from several species of Paeoniae. It has a role as a plant metabolite. It is a beta-D-glucoside, a bridged compound, a lactol, a cyclic acetal, a monoterpene glycoside and a 4-hydroxybenzoate ester.

Source: ChEBI

Identity
Molecular formulaC23H28O12
Molecular weight496.5 g/mol
IUPAC name[(1R,2S,3R,5R,6R,8S)-6-hydroxy-8-methyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-9,10-dioxatetracyclo[4.3.1.02,5.03,8]decan-2-yl]methyl 4-hydroxybenzoate
InChIKeyFCHVXNVDFYXLIL-WRJNSLSBSA-N
SMILESC[C@]12C[C@@]3([C@@H]4C[C@]1([C@@]4([C@H](O2)O3)COC(=O)C5=CC=C(C=C5)O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O

Computed by PubChem (NCBI)

Synonyms: Oxypaeoniflorin, Oxypaeoniflora, OXYPEONIFLORIN, Oxypaeoniflorin (Standard), orb1222292, orb1303768, orb3140821
Isomers (same molecular formula)
(1S,4aS,7S,7aS)-7-hydroxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[(4-hydroxybenzoyl)oxymethyl]oxan-2-yl]oxy-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-4-carboxylic acid C23H28O12
[4-[(2S,3R,4S,5R,6R)-2,3,4,5-tetraacetyloxy-6-(hydroxymethyl)oxan-2-yl]phenyl]methyl acetate C23H28O12
(2S,3S,4S,5R,6S)-6-[[5-[(E)-5-carboxy-3-methylpent-2-enyl]-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-4-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid C23H28O12
(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[(E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)-4-methylhex-4-enoyl]oxyoxane-2-carboxylic acid C23H28O12
[(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] 4-methoxybenzoate C23H28O12
[(1S,4aR,5S,7aS)-5-hydroxy-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-7-yl]methyl 4-hydroxy-3-methoxybenzoate C23H28O12