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Phenols

Quadrangularin A

Also known as (1E,2R,3R)-2-(3,5-dihydroxyphenyl)-3-(4-hydroxyphenyl)-1-[(4-hydroxyphenyl)methylidene]-2,3-dihydroindene-4,6-diol, (1E,2R,3R)-2-(3,5-dihydroxyphenyl)-3-(4-hydroxyphenyl)-1-((4-hydroxyphenyl)methylidene)-2,3-dihydroindene-4,6-diol, Cyphostemmin B

CAS 252557-25-8Formula C28H22O6Molar mass 454.48 g/mol
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Quadrangularin A chemical structure, C28H22O6, CAS 252557-25-8
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
252557-25-8
Formula
C28H22O6
Molar mass
454.48 g/mol
HS code
290729
Category
Phenols

What is Quadrangularin A?

Plain description, key identifiers and synonyms

Quadrangularin A is an indane-derived stilbenoid that is a homodimer obtained by cyclodimerisation of resveratrol. It has a role as an antioxidant and a plant metabolite. It is a polyphenol, a stilbenoid and a member of indanes. It is functionally related to a resveratrol.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(1E,2R,3R)-2-(3,5-dihydroxyphenyl)-3-(4-hydroxyphenyl)-1-[(4-hydroxyphenyl)methylidene]-2,3-dihydroindene-4,6-diol
CAS number
252557-25-8 CAS number cross-checked
Molecular formula
C28H22O6
InChIKey
BIQMSWPBPAKGSE-PBSLAQMISA-N
InChI
InChI=1S/C28H22O6/c29-18-5-1-15(2-6-18)9-23-24-13-22(33)14-25(34)28(24)27(16-3-7-19(30)8-4-16)26(23)17-10-20(31)12-21(32)11-17/h1-14,26-27,29-34H/b23-9-/t26-,27+/m1/s1
Canonical SMILES
Oc1ccc(C=C2c3cc(O)cc(O)c3C(c3ccc(O)cc3)C2c2cc(O)cc(O)c2)cc1
Isomeric SMILES
C1=CC(=CC=C1/C=C/2\[C@H]([C@@H](C3=C2C=C(C=C3O)O)C4=CC=C(C=C4)O)C5=CC(=CC(=C5)O)O)O

Synonyms

  • (1E,2R,3R)-2-(3,5-dihydroxyphenyl)-3-(4-hydroxyphenyl)-1-[(4-hydroxyphenyl)methylidene]-2,3-dihydroindene-4,6-diol
  • (1E,2R,3R)-2-(3,5-dihydroxyphenyl)-3-(4-hydroxyphenyl)-1-((4-hydroxyphenyl)methylidene)-2,3-dihydroindene-4,6-diol
  • Cyphostemmin B
  • (1E,2R,3R)-2-(3,5-dihydroxyphenyl)-1-(4-hydroxybenzylidene)-3-(4-hydroxyphenyl)-2,3-dihydro-1H-indene-4,6-diol

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

No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.

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
454.48 g/molcalc.
Exact mass
454.1416 Dacalc.
LogP (octanol/water)
5.39calc.
Topological polar surface area
121.4 Ųcalc.
Hydrogen bond donors
6calc.
Hydrogen bond acceptors
6calc.
Rotatable bonds
3calc.
Heavy atoms
34calc.
Rings
5calc.
Aromatic rings
4calc.
Fraction sp3 carbons
0.07calc.
Formal charge
0calc.
Stereocentres
2calc.
Lipinski rule of five
Fails (2 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, C(=C1c2ccccc2C(c2ccccc2)C1c1ccccc1)c1ccccc1

C(=C1c2ccccc2C(c2ccccc2)C1c1ccccc1)c1ccccc1

5 rings, 28 atoms.

7 other chemicals share 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.

Quadrangularin A suppliers

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Quadrangularin A price

Indicative price range per kg from live supplier offers

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Uses and applications

What the substance is used for, by industry and function

Roles

  • antioxidant
  • eukaryotic metabolite
  • metabolite
  • plant metabolite

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 Quadrangularin A is traded under.

HS 2907.29Indicative HS code

Polyphenols, phenol-alcohols, other

World exports in 2024
$535M
−27.0% vs 2023, imports $565M
2019 to 2024
Top exporters
  1. India * partner reported17.7%
  2. Germany16.5%
  3. Japan15.8%
Top importers
  1. United States13.1%
  2. Japan8.0%
  3. Belgium7.9%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

Quick answers about Quadrangularin A, based on the data on this page

What is Quadrangularin A?

Quadrangularin A is an indane-derived stilbenoid that is a homodimer obtained by cyclodimerisation of resveratrol. It has a role as an antioxidant and a plant metabolite. It is a polyphenol, a stilbenoid and a member of indanes. It is functionally related to a resveratrol.

What is the CAS number of Quadrangularin A?

The CAS registry number of Quadrangularin A is 252557-25-8.

What is the molecular formula and weight of Quadrangularin A?

The molecular formula of Quadrangularin A is C28H22O6 and its molar mass is 454.48 g/mol.

What is Quadrangularin A used for?

Known uses and roles of Quadrangularin A include antioxidant, eukaryotic metabolite, metabolite and plant metabolite.

Is Quadrangularin A hazardous?

No GHS hazard classification for Quadrangularin A 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 Quadrangularin A?

Quadrangularin A is usually classified under HS code 290729 (Polyphenols, phenol-alcohols, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Quadrangularin A?

Post a free request on CompoundList and suppliers of Quadrangularin A will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Quadrangularin A?

Suppliers quote Quadrangularin A 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 Quadrangularin A

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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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