Home Other Building Blocks Atractylenolide II

Atractylenolide II

CAS No.:
73069-14-4
Catalog Number:
AG00FAFQ
Molecular Formula:
C15H20O2
Molecular Weight:
232.3181
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
10mg
99%
1 week
United States
$365
- +
50mg
99%
1 week
United States
$807
- +
Product Description
Catalog Number:
AG00FAFQ
Chemical Name:
Atractylenolide II
CAS Number:
73069-14-4
Molecular Formula:
C15H20O2
Molecular Weight:
232.3181
MDL Number:
MFCD01721423
IUPAC Name:
(4aS,8aR,9aS)-3,8a-dimethyl-5-methylidene-4a,6,7,8,9,9a-hexahydro-4H-benzo[f][1]benzofuran-2-one
InChI:
InChI=1S/C15H20O2/c1-9-5-4-6-15(3)8-13-11(7-12(9)15)10(2)14(16)17-13/h12-13H,1,4-8H2,2-3H3/t12-,13-,15+/m0/s1
InChI Key:
OQYBLUDOOFOBPO-KCQAQPDRSA-N
SMILES:
C=C1CCC[C@]2([C@H]1CC1=C(C)C(=O)O[C@H]1C2)C
Properties
Complexity:
432  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
3  
Defined Bond Stereocenter Count:
0
Exact Mass:
232.146g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
232.323g/mol
Monoisotopic Mass:
232.146g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  
Literature
Title Journal
Simultaneous determination of atractylenolide II and atractylenolide III by liquid chromatography-tandem mass spectrometry in rat plasma and its application in a pharmacokinetic study after oral administration of Atractylodes Macrocephala Rhizoma extract. Biomedical chromatography : BMC 20121101
Identification and quantification of the major volatile constituents in antidepressant active fraction of xiaoyaosan by gas chromatography-mass spectrometry. Journal of ethnopharmacology 20120507
Sesquiterpenoids from Atractylodes macrocephala act as farnesoid X receptor and progesterone receptor modulators. Bioorganic & medicinal chemistry letters 20120315
GABA(A) receptor modulators from Chinese herbal medicines traditionally applied against insomnia and anxiety. Phytomedicine : international journal of phytotherapy and phytopharmacology 20120215
Simultaneous determination of four sesquiterpenoids in Atractylodes Macrocephala Rhizoma by GC-FID: optimisation of an ultrasound-assisted extraction by central composite design. Phytochemical analysis : PCA 20120101
Determination of atractylenolide II in rat plasma by reversed-phase high-performance liquid chromatography. Biomedical chromatography : BMC 20070301
Cytotoxic activity of sesquiterpenoids from Atractylodes ovata on leukemia cell lines. Planta medica 20020301
Properties