Home Other Building Blocks 5-O-methylembelin

5-O-methylembelin

CAS No.:
56005-10-8
Catalog Number:
AG00E727
Molecular Formula:
Molecular Weight:
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
50mg
1 week
United States
$559
- +
100mg
1 week
United States
$767
- +
Product Description
Catalog Number:
AG00E727
Chemical Name:
5-O-methylembelin
CAS Number:
56005-10-8
MDL Number:
MFCD07782226
IUPAC Name:
2-hydroxy-5-methoxy-3-undecylcyclohexa-2,5-diene-1,4-dione
InChI:
InChI=1S/C18H28O4/c1-3-4-5-6-7-8-9-10-11-12-14-17(20)15(19)13-16(22-2)18(14)21/h13,20H,3-12H2,1-2H3
InChI Key:
KHBJLRRAMCJZLZ-UHFFFAOYSA-N
Properties
Complexity:
446  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
308.199g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
308.418g/mol
Monoisotopic Mass:
308.199g/mol
Rotatable Bond Count:
11  
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.7  
Literature
Title Journal
Chemical constituents from the mangrove plant, Aegiceras corniculatum. Journal of natural products 20040501
Properties