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Heterocyclic compounds

Punicalagin

Also known as Punicalagin (Standard)

CAS 65995-63-3Formula C48H28O30Molar mass 1,084.72 g/mol
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Punicalagin chemical structure, C48H28O30, CAS 65995-63-3
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
65995-63-3
Formula
C48H28O30
Appearance
Yellow powder
Solubility
In methanol, 5 mg/mL, clear
HS code
293220
Category
Heterocyclic compounds
Illustrative photo, yellow pigment powder in an open fibre drum in a warehouse
Typical packagingIllustrative packaging image, not the actual product

What is Punicalagin?

Plain description, key identifiers and synonyms

SKNLUADAGHCXKF-UHFFFAOYSA-N has been reported in Punica granatum and Terminalia chebula.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
3,4,5,16,17,18-hexahydroxy-8,13-dioxo-11-(3,4,5,11,17,18,19,22,23,34,35-undecahydroxy-8,14,26,31-tetraoxo-9,13,25,32-tetraoxaheptacyclo[25.8.0.02,7.015,20.021,30.024,29.028,33]pentatriaconta-1(35),2,4,6,15,17,19,21,23,27,29,33-dodecaen-10-yl)-9,12-dioxatricyclo[12.4.0.02,7]octadeca-1(18),2,4,6,14,16-hexaene-10-carbaldehyde
CAS number
65995-63-3 CAS number cross-checked
Molecular formula
C48H28O30
InChIKey
SKNLUADAGHCXKF-UHFFFAOYSA-N
InChI
InChI=1S/C48H28O30/c49-5-16-40(76-46(70)9-3-13(52)28(56)32(60)18(9)17-8(44(68)74-16)2-12(51)27(55)31(17)59)39-15(54)6-73-43(67)7-1-11(50)29(57)33(61)19(7)21-25-23-24-26(48(72)78-41(23)37(65)35(21)63)22(36(64)38(66)42(24)77-47(25)71)20-10(45(69)75-39)4-14(53)30(58)34(20)62/h1-5,15-16,39-40,50-66H,6H2
SMILES (canonical and isomeric)
C1C(C(OC(=O)C2=CC(=C(C(=C2C3=C(C(=C4C5=C3C(=O)OC6=C(C(=C(C7=C(C(=C(C=C7C(=O)O1)O)O)O)C(=C56)C(=O)O4)O)O)O)O)O)O)O)C8C(OC(=O)C9=CC(=C(C(=C9C1=C(C(=C(C=C1C(=O)O8)O)O)O)O)O)O)C=O)O

Synonyms

  • Punicalagin (Standard)

Physical and chemical properties

Measured values and descriptors computed from the structure

Physical and chemical properties

Measured values, check the supplier specification for your grade

Appearance
Yellow powderexp.
Solubility
In methanol, 5 mg/mL, clearexp.

Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.

Computed descriptors

Calculated from the structure, useful for screening and formulation

Molecular weight
1,084.72 g/molcalc.
Exact mass
1,084.0665 Dacalc.
LogP (octanol/water)
1.8calc.
Topological polar surface area
526.6 Ųcalc.
Hydrogen bond donors
17calc.
Hydrogen bond acceptors
30calc.
Rotatable bonds
2calc.
Heavy atoms
78calc.
Rings
10calc.
Aromatic rings
8calc.
Fraction sp3 carbons
0.1calc.
Formal charge
0calc.
Stereocentres
4calc.
Lipinski rule of five
Fails (3 violations)calc.

Calculated for screening. Confirm critical figures with the supplier.

Murcko scaffold

The ring system that remains when every side chain is removed

Murcko scaffold of this chemical, O=C1OCC(C2CCOC(=O)c3ccccc3-c3ccc4oc(=O)c5c(ccc6oc(=O)c3c4c65)-c3ccccc3C(=O)O2)OC(=O)c2ccccc2-c2ccccc21

O=C1OCC(C2CCOC(=O)c3ccccc3-c3ccc4oc(=O)c5c(ccc6oc(=O)c3c4c65)-c3ccccc3C(=O)O2)OC(=O)c2ccccc2-c2ccccc21

10 rings, 59 atoms.

No other chemical in our database has this scaffold.

Safety and hazards

GHS classification summary, not a safety data sheet

No GHS hazard classification is recorded for this substance yet. That does not mean it is harmless.

GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.

Punicalagin suppliers

Sponsored listings first, then the documented ranking: membership, verification, replies, completeness, freshness and ratings

All 8 suppliers
8 of 8 offers

Suppliers marked Unclaimed profile have not claimed their profile yet. They are not verified by CompoundList, their offers are price on request and details may have changed, so please confirm them with the supplier. Company representatives can claim a profile with a business email on the company's own website domain. Our team verifies each claim and sends the result by email.

Where suppliers are based

8 suppliers in 2 countries

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Punicalagin price

Indicative price range per kg from live supplier offers

No published prices right now

Suppliers quote this chemical on request. Send one free request and compare quotes side by side.

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Uses and applications

What the substance is used for, by industry and function

Potent immune supressant isolated from pomegranate.

Potential as an antineoplastic.

Regulatory status

Inventories, regulations and trade controls that list this substance

No regulatory list memberships are recorded for this substance yet. Always check the rules of the importing and exporting country before trade.

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code Punicalagin is traded under.

HS 2932.20Indicative HS code

Lactones

World exports in 2024
$1.97B
−4.7% vs 2023, imports $2.07B
2019 to 2024
Top exporters
  1. China56.3%
  2. India * partner reported7.4%
  3. Germany7.3%
Top importers
  1. United States14.2%
  2. India * partner reported13.5%
  3. Brazil8.5%

* Partner reported figures, a lower bound.

Reported customs values in USD, not prices.Full trade data

The HS code shown for Punicalagin is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Punicalagin, based on the data on this page

What is Punicalagin?

SKNLUADAGHCXKF-UHFFFAOYSA-N has been reported in Punica granatum and Terminalia chebula.

What is the CAS number of Punicalagin?

The CAS registry number of Punicalagin is 65995-63-3.

What is the molecular formula and weight of Punicalagin?

The molecular formula of Punicalagin is C48H28O30 and its molar mass is 1,084.72 g/mol.

What is Punicalagin used for?

Potent immune supressant isolated from pomegranate. Potential as an antineoplastic.

Is Punicalagin hazardous?

No GHS hazard classification for Punicalagin is recorded on CompoundList yet. That does not prove it is safe. Always read the supplier safety data sheet.

What is the HS code of Punicalagin?

Punicalagin is usually classified under HS code 293220 (Lactones). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Punicalagin?

CompoundList lists 8 suppliers of Punicalagin in China and India. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

Where can I buy Punicalagin in India?

1 supplier in India list Punicalagin on CompoundList. Filter the suppliers list by country and send a request to compare prices, grades and delivery times.

What is the price of Punicalagin?

Suppliers quote Punicalagin on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

Guides for buyers

Practical guides that help when you source, ship or handle Punicalagin

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Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
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