sales@angenesci.com
Login | Register
logo
Structures Search
Home Other Building Blocks 1-Dodecanone, 1,1'-[5-[3,4-dihydro-7-hydroxy-2-(4-hydroxyphenyl)-2H-1-benzopyran-4-yl]-2,4,6-trihydroxy-1,3-phenylene]bis-

1-Dodecanone, 1,1'-[5-[3,4-dihydro-7-hydroxy-2-(4-hydroxyphenyl)-2H-1-benzopyran-4-yl]-2,4,6-trihydroxy-1,3-phenylene]bis-

CAS No.:
144337-18-8
Catalog Number:
AG001JD4
Molecular Formula:
C45H62O8
Molecular Weight:
730.9690
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5mg
98%(HPLC)
In Stock USA
United States
$141
- +
10mg
98%(HPLC)
In Stock USA
United States
$261
- +
25mg
98%(HPLC)
In Stock USA
United States
$505
- +
50mg
98%(HPLC)
In Stock USA
United States
$976
- +
Product Description
Catalog Number:
AG001JD4
Chemical Name:
1-Dodecanone, 1,1'-[5-[3,4-dihydro-7-hydroxy-2-(4-hydroxyphenyl)-2H-1-benzopyran-4-yl]-2,4,6-trihydroxy-1,3-phenylene]bis-
CAS Number:
144337-18-8
Molecular Formula:
C45H62O8
Molecular Weight:
730.9690
MDL Number:
MFCD00918068
IUPAC Name:
1-[3-dodecanoyl-2,4,6-trihydroxy-5-[7-hydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-4-yl]phenyl]dodecan-1-one
InChI:
InChI=1S/C45H62O8/c1-3-5-7-9-11-13-15-17-19-21-36(48)41-43(50)40(44(51)42(45(41)52)37(49)22-20-18-16-14-12-10-8-6-4-2)35-30-38(31-23-25-32(46)26-24-31)53-39-29-33(47)27-28-34(35)39/h23-29,35,38,46-47,50-52H,3-22,30H2,1-2H3
InChI Key:
CEJAYJCUSZHYDS-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCC(=O)c1c(O)c(C(=O)CCCCCCCCCCC)c(c(c1O)C1CC(Oc2c1ccc(c2)O)c1ccc(cc1)O)O
Properties
Complexity:
980  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
730.444g/mol
Formal Charge:
0
Heavy Atom Count:
53  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
5  
Isotope Atom Count:
0
Molecular Weight:
730.983g/mol
Monoisotopic Mass:
730.444g/mol
Rotatable Bond Count:
24  
Topological Polar Surface Area:
145A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
14.3  
Literature
Title Journal
The application of rational design on phospholipase A(2) inhibitors. Current medicinal chemistry 20110101
Simplified YM-26734 inhibitors of secreted phospholipase A2 group IIA. Bioorganic & medicinal chemistry letters 20081015
Induction of distinct sets of secretory phospholipase A(2) in rodents during inflammation. Biochimica et biophysica acta 20031130
Properties