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Heterocyclic building blocks

Atractylon

Also known as (4aS,8aR)-3,8a-dimethyl-5-methylidene-4,4a,6,7,8,9-hexahydrobenzo[f][1]benzofuran, (4aS,8aR)-3,8a-dimethyl-5-methylidene-4,4a,6,7,8,9-hexahydrobenzo(f)(1)benzofuran, (4aR,8aS)-3,8a-dimethyl-5-methylidene-4,4a,6,7,8,9-hexahydrobenzo(f)(1)benzofuran

CAS 6989-21-5Formula C15H20OMolar mass 216.32 g/mol
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Atractylon chemical structure, C15H20O, CAS 6989-21-5
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
6989-21-5
Formula
C15H20O
Molar mass
216.32 g/mol
HS code
293299
Category
Heterocyclic building blocks

What is Atractylon?

Plain description, key identifiers and synonyms

Atractylone is a sesquiterpenoid.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(4aS,8aR)-3,8a-dimethyl-5-methylidene-4,4a,6,7,8,9-hexahydrobenzo[f][1]benzofuran
CAS number
6989-21-5 CAS number cross-checked
Molecular formula
C15H20O
MDL number
MFCD00210477
InChIKey
TYPSVDGIQAOBAD-DZGCQCFKSA-N
InChI
InChI=1S/C15H20O/c1-10-5-4-6-15(3)8-14-12(7-13(10)15)11(2)9-16-14/h9,13H,1,4-8H2,2-3H3/t13-,15+/m0/s1
Canonical SMILES
C=C1CCCC2(C)Cc3occ(C)c3CC12
Isomeric SMILES
CC1=COC2=C1C[C@H]3C(=C)CCC[C@@]3(C2)C

Synonyms

  • (4aS,8aR)-3,8a-dimethyl-5-methylidene-4,4a,6,7,8,9-hexahydrobenzo[f][1]benzofuran
  • (4aS,8aR)-3,8a-dimethyl-5-methylidene-4,4a,6,7,8,9-hexahydrobenzo(f)(1)benzofuran
  • (4aR,8aS)-3,8a-dimethyl-5-methylidene-4,4a,6,7,8,9-hexahydrobenzo(f)(1)benzofuran
  • Atractylone
  • (4aS,8aR)-3,8a-Dimethyl-5-methylene-4,4a,5,6,7,8,8a,9-octahydronaphtho[2,3-b]furan
  • Atractyline(Discontinued)(Sh)
  • Atractyloxide
  • (4aS,8aR)-3,8a-dimethyl-5-methylene-4,4a,6,7,8,9-hexahydrobenzo[f]benzofuran
  • Naphtho(2,3-b)furan, 4,4a,5,6,7,8,8a,9-octahydro-3,8a-dimethyl-5-methylene-, (4aS-trans)-
  • Naphtho[2,3-b]furan, 4,4a,5,6,7,8,8a,9-octahydro-3,8a-dimethyl-5-methylene-, (4aS,8aR)-
  • (4As,8ar)-3,8a-dimethyl-5-methylidene-4H,4ah,5H,6H,7H,8H,8ah,9H-naphtho[2,3-b]furan
  • (4aS,8aR)-3,8a-Dimethyl-5-methylidene-4,4a,5,6,7,8,8a,9-octahydronaphtho[2,3-b]furan

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
216.32 g/molcalc.
Exact mass
216.1514 Dacalc.
LogP (octanol/water)
4.05calc.
Topological polar surface area
13.14 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
1calc.
Rotatable bonds
0calc.
Heavy atoms
16calc.
Rings
3calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.6calc.
Formal charge
0calc.
Stereocentres
2calc.
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, C=C1CCCC2Cc3occc3CC12

C=C1CCCC2Cc3occc3CC12

3 rings, 14 atoms.

3 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.

Atractylon suppliers

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Where suppliers are based

1 supplier in 1 country

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Atractylon 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

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 Atractylon 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 Atractylon is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

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

What is Atractylon?

Atractylone is a sesquiterpenoid.

What is the CAS number of Atractylon?

The CAS registry number of Atractylon is 6989-21-5.

What is the molecular formula and weight of Atractylon?

The molecular formula of Atractylon is C15H20O and its molar mass is 216.32 g/mol.

What is Atractylon used for?

Known uses and roles of Atractylon include building blocks in research and laboratory and screening compounds in research and laboratory.

Is Atractylon hazardous?

No GHS hazard classification for Atractylon 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 Atractylon?

Atractylon 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 Atractylon?

CompoundList lists 1 supplier of Atractylon 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 Atractylon?

Suppliers quote Atractylon 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 Atractylon

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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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