2'-O-Benzoylpaeoniflorin

Datasheet MSDS
Catalog Number
ANC03371
Product Name
2'-O-Benzoylpaeoniflorin
CAS Number
1456598-64-3
IUPAC Name
[3-[3-benzoyloxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-hydroxy-8-methyl-9,10-dioxatetracyclo[4.3.1.02,5.03,8]decan-2-yl]methyl benzoate
Synonyms
((1aR,1a1S,2R,3aR,5S,5aR)-5a-(((2S,3R,4S,5S,6R)-3-(benzoyloxy)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-2-hydroxy-5-methyltetrahydro-1H-3,4-dioxa-2,5-methanocyclobuta[cd]pentalen-1a1(3aH)-yl)methylbenzoate
Molecular Formula
C30H32O12
Molecular Weight
584.568
Appearance
Powder
Purity
>95%
Density
1.6±0.1g/cm3
SMILES
CC12CC3(C4CC1(C4(C(O2)O3)COC(=O)C5=CC=CC=C5)OC6C(C(C(C(O6)CO)O)O)OC(=O)C7=CC=CC=C7)O
InChI
InChI=1S/C30H32O12/c1-27-14-29(36)19-12-30(27,28(19,26(41-27)42-29)15-37-23(34)16-8-4-2-5-9-16)40-25-22(21(33)20(32)18(13-31)38-25)39-24(35)17-10-6-3-7-11-17/h2-11,18-22,25-26,31-33,36H,12-15H2,1H3
InChI Key
LYPYOTHXDUDQAL-UHFFFAOYSA-N
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