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{(3S,5R,6S)-1-({[(4,5-Dihydroxy-2-cyclohexen-1-yl)carbonyl]oxy}methyl)-3-[(1aR)-1H-3,4-dioxacyclobuta[cd]pentalen-1a(2H)-yloxy]-5,6-dihydroxy-4-methyl-2-oxabicyclo[2.2.1]hept-3-yl}methyl benzoate

Molecular formula:C30H32O12
Average mass:584.574
Monoisotopic mass:584.189376
ChemSpider ID:148730
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4 of 9 defined stereocentres

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Verified

2-Cyclohexene-1-carboxylic acid, 4,5-dihydroxy-, [(3S,5R,6S)-3-[(benzoyloxy)methyl]-3-[(1aR)-1H-3,4-dioxacyclobuta[cd]pentalen-1a(2H)-yloxy]-5,6-dihydroxy-4-methyl-2-oxabicyclo[2.2.1]hept-1-yl]methyl ester

[ACD/Index Name]

Benzoate de {(3S,5R,6S)-1-({[(4,5-dihydroxy-2-cyclohexén-1-yl)carbonyl]oxy}méthyl)-3-[(1aR)-1H-3,4-dioxacyclobuta[cd]pentalén-1a(2H)-yloxy]-5,6-dihydroxy-4-méthyl-2-oxabicyclo[2.2.1]hept-3-yl}méthyle

[French]

 [ACD/IUPAC Name]

{(3S,5R,6S)-1-({[(4,5-Dihydroxy-2-cyclohexen-1-yl)carbonyl]oxy}methyl)-3-[(1aR)-1H-3,4-dioxacyclobuta[cd]pentalen-1a(2H)-yloxy]-5,6-dihydroxy-4-methyl-2-oxabicyclo[2.2.1]hept-3-yl}methyl benzoate

[ACD/IUPAC Name]

{(3S,5R,6S)-1-({[(4,5-Dihydroxy-2-cyclohexen-1-yl)carbonyl]oxy}methyl)-3-[(1aR)-1H-3,4-dioxacyclobuta[cd]pentalen-1a(2H)-yloxy]-5,6-dihydroxy-4-methyl-2-oxabicyclo[2.2.1]hept-3-yl}methyl-benzoat

[German]

 [ACD/IUPAC Name]
Unverified

38642-49-8

[RN]

benzoylpaeoniflorin

beta-D-Glucopyranoside, 5b-((benzoyloxy)methyl)tetrahydro-5-hydroxy-2-methyl-2,5-methano-1H-3,4-dioxacyclobuta(cd)pentalen-1a(2H)-yl, 6-benzoate, (1aR-(1aalpha,2beta,3aalpha,5alpha,5aalpha,5balpha))-