Galloylpaeoniflorin

Datasheet MSDS
Catalog Number
ANC00043
Product Name
Galloylpaeoniflorin
Structure
Galloylpaeoniflorin
CAS Number
122965-41-7
IUPAC Name
[6-[[2-(benzoyloxymethyl)-6-hydroxy-8-methyl-9,10-dioxatetracyclo[4.3.1.02,5.03,8]decan-3-yl]oxy]-3,4,5-trihydroxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate
Synonyms
galloylpaeoniflorin; [[(1aR)-5bβ-[(Benzoyloxy)methyl]-3aβ,5,5aβ,5b-tetrahydro-5β-hydroxy-2-methyl-2α,5α-methano-3,4-dioxa-1H-cyclobuta[cd]pentalen]-1aβ(2H)-yl]6-O-galloyl-β-D-glucopyranoside; 6'-O-Galloylpaeoniflorin; -D-Glucopyranoside,(1aR,2S,3aR,5R,5aR,5bS)-5b-[(benzoyloxy)methyl]tetrahydro-5-hydroxy-2-methyl-2,5-methano-1H-3,4-dioxacyclobuta[cd]pentalen-1a(2H)-yl,6-(3,4,5-trihydroxybenzoate)
Molecular Formula
C30H32O15
Molecular Weight
632.57
Appearance
Powder
Purity
>98%
Density
1.7±0.1g/cm3
Boiling Point
887.7±65.0°C (Predicted)
Description
Gallanyl paeoniflorin has anti-inflammatory, anti-ulcer and immunomodulatory effects.
SMILES
CC12CC3(C4CC1(C4(C(O2)O3)COC(=O)C5=CC=CC=C5)OC6C(C(C(C(O6)COC(=O)C7=CC(=C(C(=C7)O)O)O)O)O)O)O
InChI
InChI=1S/C30H32O15/c1-27-11-29(39)18-9-30(27,28(18,26(44-27)45-29)12-41-23(37)13-5-3-2-4-6-13)43-25-22(36)21(35)20(34)17(42-25)10-40-24(38)14-7-15(31)19(33)16(32)8-14/h2-8,17-18,20-22,25-26,31-36,39H,9-12H2,1H3
InChI Key
KLFIUQCKSSAFFU-UHFFFAOYSA-N
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