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Home Other Building Blocks ATRACTYLINE(DISCONTINUED)(SH)

ATRACTYLINE(DISCONTINUED)(SH)

CAS No.:
6989-21-5
Catalog Number:
AG00FEJQ
Molecular Formula:
Molecular Weight:
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Product Description
Catalog Number:
AG00FEJQ
Chemical Name:
ATRACTYLINE(DISCONTINUED)(SH)
CAS Number:
6989-21-5
IUPAC Name:
(4aS,8aR)-3,8a-dimethyl-5-methylidene-4,4a,6,7,8,9-hexahydrobenzo[f][1]benzofuran
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
InChI Key:
TYPSVDGIQAOBAD-DZGCQCFKSA-N
Properties
Complexity:
309  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
216.151g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
216.324g/mol
Monoisotopic Mass:
216.151g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
13.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4  
Literature
Title Journal
Inhibitory effects of atractylone on mast cell-mediated allergic reactions. Chemico-biological interactions 20161025
Quantitative determination of atractylon in Atractylodis Rhizoma and Atractylodis Lanceae Rhizoma by 1H-NMR spectroscopy. Journal of natural medicines 20100401
[Fingerprint of volatile oil of Atractylodes lancea by GC-MS]. Yao xue xue bao = Acta pharmaceutica Sinica 20070901
Toxicity of atractylon and atractylenolide III Identified in Atractylodes ovata rhizome to Dermatophagoides farinae and Dermatophagoides pteronyssinus. Journal of agricultural and food chemistry 20070725
Composition of the essential oil of rootstock from Cimicifuga simplex. Natural product research 20060520
Cytotoxic activity of sesquiterpenoids from Atractylodes ovata on leukemia cell lines. Planta medica 20020301
Properties