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Flavonoids and polyphenols

Isoastilbin

Also known as 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy-2,3-dihydrochromen-4-one, (2R,3S)-2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2,3-dihydrochromen-4-one, (2R-cis)-isomer of astilbin

CAS 54081-48-0Formula C21H22O11Molar mass 450.40 g/mol
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Isoastilbin chemical structure, C21H22O11, CAS 54081-48-0
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
54081-48-0
Formula
C21H22O11
Molar mass
450.40 g/mol
HS code
293890
Category
Flavonoids and polyphenols

What is Isoastilbin?

Plain description, key identifiers and synonyms

CID 9981176 has been reported in Neolitsea aurata, Smilax corbularia, and other organisms.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(2R,3S)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2,3-dihydrochromen-4-one
CAS number
54081-48-0 CAS number cross-checked
Molecular formula
C21H22O11
InChIKey
ZROGCCBNZBKLEL-OOHAXVOVSA-N
InChI
InChI=1S/C21H22O11/c1-7-15(26)17(28)18(29)21(30-7)32-20-16(27)14-12(25)5-9(22)6-13(14)31-19(20)8-2-3-10(23)11(24)4-8/h2-7,15,17-26,28-29H,1H3/t7-,15-,17+,18+,19+,20+,21-/m0/s1
Canonical SMILES
CC1OC(OC2C(=O)c3c(O)cc(O)cc3OC2c2ccc(O)c(O)c2)C(O)C(O)C1O
Isomeric SMILES
C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@H]2[C@H](OC3=CC(=CC(=C3C2=O)O)O)C4=CC(=C(C=C4)O)O)O)O)O

Synonyms

  • 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy-2,3-dihydrochromen-4-one
  • (2R,3S)-2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2,3-dihydrochromen-4-one
  • (2R-cis)-isomer of astilbin
  • (2R,3S)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}-3,4-dihydro-2H-1-benzopyran-4-one
  • (2R,3S)-2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-4-oxo-3,4-dihydro-2H-1-benzopyran-3-yl 6-deoxy-alpha-L-mannopyranoside

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
450.40 g/molcalc.
Exact mass
450.1162 Dacalc.
LogP (octanol/water)
0.04calc.
Topological polar surface area
186.4 Ųcalc.
Hydrogen bond donors
7calc.
Hydrogen bond acceptors
11calc.
Rotatable bonds
3calc.
Heavy atoms
32calc.
Rings
4calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.38calc.
Formal charge
0calc.
Stereocentres
7calc.
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, O=C1c2ccccc2OC(c2ccccc2)C1OC1CCCCO1

O=C1c2ccccc2OC(c2ccccc2)C1OC1CCCCO1

4 rings, 24 atoms.

17 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.

Isoastilbin suppliers

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  • ChemFaces
    China, WuhanUnclaimed profile
    IsoastilbinGrade, purity and minimum order on request
    Price on request
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Where suppliers are based

1 supplier in 1 country

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Isoastilbin price

Indicative price range per kg from live supplier offers

No published prices right now

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Uses and applications

What the substance is used for, by industry and function

Applications are not documented for this substance yet. Suppliers often describe uses on their product pages, linked in the suppliers list above.

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 Isoastilbin is traded under.

HS 2938.90Indicative HS code

Natural or reproduced by synthesis, other than rutoside (rutin) and its derivatives

World exports in 2024
$1.4B
−8.3% vs 2023, imports $1.35B
2019 to 2024
Top exporters
  1. China49.2%
  2. France * partner reported8.9%
  3. Malaysia6.1%
Top importers
  1. United States22.3%
  2. India * partner reported7.8%
  3. Brazil5.5%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

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

What is Isoastilbin?

CID 9981176 has been reported in Neolitsea aurata, Smilax corbularia, and other organisms.

What is the CAS number of Isoastilbin?

The CAS registry number of Isoastilbin is 54081-48-0.

What is the molecular formula and weight of Isoastilbin?

The molecular formula of Isoastilbin is C21H22O11 and its molar mass is 450.40 g/mol.

Is Isoastilbin hazardous?

No GHS hazard classification for Isoastilbin 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 Isoastilbin?

Isoastilbin is usually classified under HS code 293890 (Glycosides, natural or reproduced by synthesis, and their salts, ethers, esters and…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Isoastilbin?

CompoundList lists 1 supplier of Isoastilbin in China. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

What is the price of Isoastilbin?

Suppliers quote Isoastilbin 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

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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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