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Flavonoids and polyphenols

Chafuroside A

Also known as (11S,13R,14S,15S,16S)-9,14,15-Trihydroxy-13-(hydroxymethyl)-5-(4-hydroxyphenyl)-4,12,17-trioxatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,5,8-tetraen-7-one

CAS 720684-57-1Formula C21H18O9Molar mass 414.37 g/mol
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Chafuroside A chemical structure, C21H18O9, CAS 720684-57-1
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
720684-57-1
Formula
C21H18O9
Molar mass
414.37 g/mol
HS code
293299
Category
Flavonoids and polyphenols

What is Chafuroside A?

Plain description, key identifiers and synonyms

Chafuroside A is a chemical substance with the molecular formula C21H18O9 and a molar mass of 414.37 g/mol. Its CAS registry number is 720684-57-1. The IUPAC name is (11S,13R,14S,15S,16S)-9,14,15-trihydroxy-13-(hydroxymethyl)-5-(4-hydroxyphenyl)-4,12,17-trioxatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,5,8-tetraen-7-one.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(11S,13R,14S,15S,16S)-9,14,15-trihydroxy-13-(hydroxymethyl)-5-(4-hydroxyphenyl)-4,12,17-trioxatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,5,8-tetraen-7-one
CAS number
720684-57-1
Molecular formula
C21H18O9
InChIKey
DZQBNDGXEFWXEK-ODJUOBDQSA-N
InChI
InChI=1S/C21H18O9/c22-7-14-17(25)19(27)21-20(30-14)16-13(29-21)6-12-15(18(16)26)10(24)5-11(28-12)8-1-3-9(23)4-2-8/h1-6,14,17,19-23,25-27H,7H2/t14-,17-,19+,20+,21+/m1/s1
Canonical SMILES
O=c1cc(-c2ccc(O)cc2)oc2cc3c(c(O)c12)C1OC(CO)C(O)C(O)C1O3
Isomeric SMILES
C1=CC(=CC=C1C2=CC(=O)C3=C(C4=C(C=C3O2)O[C@@H]5[C@H]4O[C@@H]([C@H]([C@@H]5O)O)CO)O)O

Synonyms

  • (11S,13R,14S,15S,16S)-9,14,15-Trihydroxy-13-(hydroxymethyl)-5-(4-hydroxyphenyl)-4,12,17-trioxatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,5,8-tetraen-7-one

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
414.37 g/molcalc.
Exact mass
414.0951 Dacalc.
LogP (octanol/water)
0.79calc.
Topological polar surface area
149.8 Ųcalc.
Hydrogen bond donors
5calc.
Hydrogen bond acceptors
9calc.
Rotatable bonds
2calc.
Heavy atoms
30calc.
Rings
5calc.
Aromatic rings
3calc.
Fraction sp3 carbons
0.29calc.
Formal charge
0calc.
Stereocentres
5calc.
Lipinski rule of five
Passes (0 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=c1cc(-c2ccccc2)oc2cc3c(cc12)C1OCCCC1O3

O=c1cc(-c2ccccc2)oc2cc3c(cc12)C1OCCCC1O3

5 rings, 24 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.

Chafuroside A suppliers

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Chafuroside 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

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 Chafuroside A is traded under.

HS 2932.99Indicative HS code

Heterocyclic compounds with oxygen hetero-atom(s) only, other

World exports in 2024
$3.81B
+10.3% vs 2023, imports $7.05B
2019 to 2024
Top exporters
  1. China28.9%
  2. Switzerland * partner reported12.7%
  3. Germany7.8%
Top importers
  1. United States49.7%
  2. China11.9%
  3. India * partner reported3.3%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

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

What is Chafuroside A?

Chafuroside A is a chemical substance with the molecular formula C21H18O9 and a molar mass of 414.37 g/mol. Its CAS registry number is 720684-57-1.

What is the CAS number of Chafuroside A?

The CAS registry number of Chafuroside A is 720684-57-1.

What is the molecular formula and weight of Chafuroside A?

The molecular formula of Chafuroside A is C21H18O9 and its molar mass is 414.37 g/mol.

Is Chafuroside A hazardous?

No GHS hazard classification for Chafuroside 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 Chafuroside A?

Chafuroside A is usually classified under HS code 293299 (Heterocyclic compounds with oxygen hetero-atom(s) only, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Chafuroside A?

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

What is the price of Chafuroside A?

Suppliers quote Chafuroside 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 Chafuroside 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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