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inulicin

CAS No.:
33627-41-7
Catalog Number:
AG00C6I9
Molecular Formula:
C17H24O5
Molecular Weight:
308.3695
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1mg
99%
1 week
United States
$279
- +
5mg
99%
1 week
United States
$640
- +
10mg
99%
1 week
United States
$890
- +
Product Description
Catalog Number:
AG00C6I9
Chemical Name:
inulicin
CAS Number:
33627-41-7
Molecular Formula:
C17H24O5
Molecular Weight:
308.3695
MDL Number:
MFCD00808445
IUPAC Name:
[(4S)-4-[(3aS,4S,7aR)-4-hydroxy-6-methyl-3-methylidene-2-oxo-3a,4,7,7a-tetrahydro-1-benzofuran-5-yl]pentyl] acetate
InChI:
InChI=1S/C17H24O5/c1-9(6-5-7-21-12(4)18)14-10(2)8-13-15(16(14)19)11(3)17(20)22-13/h9,13,15-16,19H,3,5-8H2,1-2,4H3/t9-,13+,15+,16+/m0/s1
InChI Key:
QKUFZFLZBUSEHN-CZLJMHDISA-N
SMILES:
CC(=O)OCCC[C@@H](C1=C(C)C[C@@H]2[C@H]([C@@H]1O)C(=C)C(=O)O2)C
Properties
Complexity:
519  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
4  
Defined Bond Stereocenter Count:
0
Exact Mass:
308.162g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
308.374g/mol
Monoisotopic Mass:
308.162g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
72.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
Literature
Title Journal
Protection of brain and pancreas from high-fat diet: effects of catechin and caffeine. Physiology & behavior 20090216
[Determination of acetylbritannilactone in inulicin and rat plasma by micellar electrokinetic capillary chromatography with on-line sweeping concentration technique]. Se pu = Chinese journal of chromatography 20060901
Properties