Punicalagin

Datasheet MSDS
Catalog Number
ANC00048
Product Name
Punicalagin
Structure
Punicalagin
CAS Number
65995-63-3
IUPAC Name
(1R,35R,38R,55S)-6,7,8,11,12,23,24,27,28,29,37,43,44,45,48,49,50-heptadecahydroxy-2,14,21,33,36,39,54-heptaoxaundecacyclo[33.20.0.04,9.010,19.013,18.016,25.017,22.026,31.038,55.041,46.047,52]pentapentaconta-4,6,8,10,12,16,18,22,24,26,28,30,41,43,45,47,49,51-octadecaene-3,15,20,32,40,53-hexone
Synonyms
2,3-(S)-hexahydroxydiphenoyl-4,6-(S,S)-gallagyl-D-glucose; Punicalagin; PULCHINENOSIDE B4(RG); Punicalagins
Molecular Formula
C48H28O30
Molecular Weight
1084.7
Appearance
Powder
Purity
>98%
Density
2.076±0.06g/cm3 (Predicted)
Solubility
methanol: soluble5mg/mL, clear
Storage
Keep in dark place,Inert atmosphere,2-8°C
Description
Punicalagin is a kind of pomegranate (PunicagranatumL.) or TerminaliacatappaL. Polyphenol components isolated from leaves. Punicalagin is an anti-hepatitis B virus (HBV) drug with antioxidant, anti-inflammatory and anticancer effects.
SMILES
C1[C@@H]2[C@H]([C@H]3[C@H](C(O2)O)OC(=O)C4=CC(=C(C(=C4C5=C(C(=C(C=C5C(=O)O3)O)O)O)O)O)O)OC(=O)C6=CC(=C(C(=C6C7=C(C(=C8C9=C7C(=O)OC2=C(C(=C(C3=C(C(=C(C=C3C(=O)O1)O)O)O)C(=C92)C(=O)O8)O)O)O)O)O)O)O
InChI
InChI=1S/C48H28O30/c49-10-1-6-17(31(59)27(10)55)19-23-21-22-24(47(70)76-38(21)35(63)33(19)61)20(34(62)36(64)39(22)75-46(23)69)18-9(4-13(52)28(56)32(18)60)43(66)74-37-14(5-72-42(6)65)73-48(71)41-40(37)77-44(67)7-2-11(50)25(53)29(57)15(7)16-8(45(68)78-41)3-12(51)26(54)30(16)58/h1-4,14,37,40-41,48-64,71H,5H2/t14-,37-,40+,41-,48?/m1/s1
InChI Key
ZJVUMAFASBFUBG-UYMKNUMKSA-N
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