Punicalagin | CAS No. 65995-63-3

Punicalagin

Basic Information

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CAS Number

65995-63-3

Molecular Formula

C48H28O30

Molecular Weight

1084.7 g/mol

Basic Physical Properties

Physical State

Powder

Melting Point

>155°C (dec.)

Density

2.076±0.06 g/cm3(Predicted)

Solubility

methanol: soluble5mg/mL, clear

Vapor Pressure

3.47X10-61 mm Hg at 25 °C (est)

SMILES

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C1C2C(C3C(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

InChIKey

ZJVUMAFASBFUBG-UYMKNUMKSA-N

LogP

1.95860

pKa

1.92±0.60(Predicted)

Complexity

2380

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Storage Conditions

-20℃

Stability

蒸馏水溶液可在-20°下稳定储存2个月。

Synonyms & References

English

Punicalagin, >=98% (HPLC), from pomegranate
(63R,64R,64aS,616aR)-14,15,16,22,23,27,28,34,35,36,61,68,69,610,611,612,613-heptadecahydroxy-25,210,63,64,64a,66,615,616a-octahydro-61H-5,8-dioxa-6(4,3)-dibenzo[f,h]pyrano[3,4-b][1,4]dioxecina-2(1,6)-chromeno[5,4,3-cde]chromena-1,3(1,2)-dibenzenacyclononaphane-25,210,66,615,4,9-hexaone
65995-63-3
GLXC-14665
MFCD09838017
Punicalagin, Technical grade
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
Q-100754
AKOS037514808
Punicalagin
Punicalagin, analytical standard
CHEBI:167695
a pomegranate ellagitannin
Punicalagins
PUNICALAGINS A&B(P)
B(P)
PULCHINENOSIDE B4(RG)
PUNICALAGINS A&amp
D-Glucose,cyclic4,6-[2,2'-(5,10-dihydro-2,3,7,8-tetrahydroxy-5,10-dioxo[1]benzopyrano[5,4,3-cde][1]benzopyran-1,6-diyl)bis[3,4,5-trihydroxybenzoate]]cyclic 2,3-(4,4',5,5',6,6'-hexahydroxy[1,1'-biphenyl]-2,2'-dicarboxylate),[2(S),4(S,S)]-
2,20,1,23-(Epoxy[2]propene[1,2]diyl[3]ylidene)-11H,15H-tribenzo[g,i,q][1,5,12]trioxacyclononadecin,D-glucose deriv.
Dibenzo[f,h][1,4]dioxecin, D-glucose deriv.
D-Glucose,cyclic 4,6-[(S,S)-2,2'-(5,10-dihydro-2,3,7,8-tetrahydroxy-5,10-dioxo[1]benzopyrano[5,4,3-cde][1]benzopyran-1,6-diyl)bis[3,4,5-trihydroxybenzoate]]cyclic 2,3-[(S)-4,4',5,5',6,6'-hexahydroxy[1,1'-biphenyl]-2,2'-dicarboxylate]
D-Glucose, cyclic4,6-[(2S,2'S)-2,2'-(5,10-dihydro-2,3,7,8-tetrahydroxy-5,10-dioxo[1]benzopyrano[5,4,3-cde][1]benzopyran-1,6-diyl)bis[3,4,5-trihydroxybenzoate]]cyclic 2,3-[(S)-4,4',5,5',6,6'-hexahydroxy[1,1'-biphenyl]-2,2'-dicarboxylate]
BDBM50377922
N1687
(1R,35R,37R,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,
(1R,35R,37R,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,
Dibenzo[f,h][1,4]dioxecin, D-glucose deriv
Punicalagin (98%)
Punicalagins, 98%, from Punica granatum L.
Punicalagin (40%)

MDL Number

MFCD09838017

Customs Code

29389090

FAQ

What is Punicalagin (CAS: 65995-63-3)?

Punicalagin is a potent natural antioxidant and polyphenol compound found in pomegranate extracts. With the chemical formula C23H22O16, it belongs to the ellagitannin family and is known for its strong free radical scavenging properties. Punicalagin is commonly used in research and health supplements due to its anti-inflammatory and cardiovascular benefits, and its CAS number is 65995-63-3.

What are the main uses of Punicalagin (CAS: 65995-63-3)?

Punicalagin (CAS: 65995-63-3) is widely utilized in pharmaceuticals for its antioxidant and anti-inflammatory properties, supporting applications in cardiovascular health and cancer research. It is also used in the food industry as a natural preservative and in dietary supplements. Additionally, it serves as a key compound in studies related to oxidative stress and bioavailability, leveraging its unique chemical structure for therapeutic potential.

Is Punicalagin (CAS: 65995-63-3) safe?

Punicalagin (CAS: 65995-63-3) is generally considered safe when used appropriately, with low toxicity in typical dietary or supplemental doses. However, proper handling is recommended to avoid skin or eye irritation. Safety standards emphasize adherence to guidelines for storage and use, ensuring minimal risk during handling and application in research or industrial settings.

How should Punicalagin (CAS: 65995-63-3) be stored?

Punicalagin (CAS: 65995-63-3) should be stored in a cool, dry place, away from light, in airtight containers to maintain stability. It is sensitive to moisture and heat, so refrigeration at 2-8°C is often recommended. Proper storage ensures preservation of its chemical integrity and potency, preventing degradation over time.