Atractylenolide Iii

Basic Information

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CAS Number

73030-71-4

Molecular Formula

C15H20O3

Molecular Weight

248.32 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Physical State

Powder

Melting Point

No data available

Boiling Point

424.6±45.0 °C at 760 mmHg

Density

1.18

Flash Point

181.1±21.5 °C

Solubility

methanol: soluble1mg/mL, clear, colorless

Refractive Index

1.558

Vapor Pressure

8.4X10-8 mm Hg at 25 °C (est)

SMILES

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CC1=C2CC3C(=C)CCCC3(CC2(OC1=O)O)C

InChI

InChI=1S/C15H20O3/c1-9-5-4-6-14(3)8-15(17)12(7-11(9)14)10(2)13(16)18-15/h11,17H,1,4-8H2,2-3H3/t11-,14+,15-/m0/s1

InChIKey

FBMORZZOJSDNRQ-GLQYFDAESA-N

LogP

2.7047000000000008

Topological Polar Surface Area

46.53 Å²

Hydrogen Bond Donor/Acceptor

1 / 3

Complexity

476

Safety Information

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Storage Conditions

-20℃

Synonyms & References

English

Atractylenolide III
8-HYDROXYASTEROLIDE
ATRACTYLENOLIDE
(4aS,8aR,9aS)-9a-Hydroxy-3,8a-dimethyl-5-methylidene-4,4a,6,7,8,9-hexahydrobenzo[f][1]benzoxol-2-one
(4aS)-4a,5,6,7,8,8a,9,9a-Octahydro-9aβ-hydroxy-3,8aβ-dimethyl-5-methylenenaphtho[2,3-b]furan-2(4H)-one
Atractylenolide Ⅲ
ATRACTYLENOLIDE III(AS)
8β-Hydroxyasterolide
Atractylenolide-III
codonolactone
ICodonolactone
8beta-Hydroxyasterolide
Atractylodes japonica
8
A-Hydroxyasterolide
BCP18761
(4aS,8aR,9aS)-9a-hydroxy-3,8a-dimethyl-5-methylidene-4,4a,6,7,8,9-hexahydrobenzo[f][1]benzofuran-2-one
BDBM50241945
API0006576
Atractylenolide III, >=98% (HPLC)
NCGC0038530
Atractylenolide β,8β-Hydroxyasterolide,Codonolactone
CS-3671
DA-61301
DTXCID10145799
8-Hydroxyasterolide
AtractylenolideIII
CCG-266941
(4aS,8aR,9aS)-9a-hydroxy-3,8a-dimethyl-5-methylene-4a,5,6,7,8,8a,9,9a-octahydronaphtho[2,3-b]furan-2(4H)-one
AC-34013
Codonolactone

MDL Number

MFCD00238543

FAQ

What is Atractylenolide Iii (CAS: 73030-71-4)?

Atractylenolide Iii is a naturally occurring sesquiterpene lactone compound primarily derived from the roots of Atractylodes macrocephala. It has a molecular formula of C15H22O5 and is known for its distinct chemical structure and bioactive properties, including anti-inflammatory and immunomodulatory effects.

What are the main uses of Atractylenolide Iii (CAS: 73030-71-4)?

Atractylenolide Iii is mainly used in pharmaceutical research for its potential therapeutic applications, such as treating inflammation and immune-related disorders. It is also utilized in the development of natural health products and as a compound of interest in medicinal chemistry studies due to its bioactive nature.

Is Atractylenolide Iii (CAS: 73030-71-4) safe?

Atractylenolide Iii is generally considered safe when used under controlled conditions and in appropriate dosages. However, proper handling is recommended to avoid skin irritation or accidental ingestion. Safety standards for its use in research and pharmaceutical settings should be followed to ensure minimal risk.

How should Atractylenolide Iii (CAS: 73030-71-4) be stored?

Atractylenolide Iii should be stored in a cool, dry place away from light. It is typically kept in airtight containers to maintain its stability and prevent degradation. Storage conditions should be maintained below 25°C and with low humidity to preserve its chemical integrity.