Home Other Building Blocks HEXAHYDROCURCUMIN

HEXAHYDROCURCUMIN

CAS No.:
36062-05-2
Catalog Number:
AG00C6J4
Molecular Formula:
C21H26O6
Molecular Weight:
374.4275
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1mg
≥95%
1 week
United States
$153
- +
5mg
≥95%
1 week
United States
$489
- +
10mg
≥95%
1 week
United States
$823
- +
Product Description
Catalog Number:
AG00C6J4
Chemical Name:
HEXAHYDROCURCUMIN
CAS Number:
36062-05-2
Molecular Formula:
C21H26O6
Molecular Weight:
374.4275
MDL Number:
MFCD18783096
IUPAC Name:
5-hydroxy-1-(4-hydroxy-3-methoxycyclohexyl)-7-(4-hydroxy-3-methoxyphenyl)heptan-3-one
InChI:
InChI=1S/C21H32O6/c1-26-20-11-14(5-9-18(20)24)3-7-16(22)13-17(23)8-4-15-6-10-19(25)21(12-15)27-2/h5,9,11,15-16,19,21-22,24-25H,3-4,6-8,10,12-13H2,1-2H3
InChI Key:
XMNDMZNXKHJPKM-UHFFFAOYSA-N
SMILES:
COc1cc(CCC(CC(=O)CCc2ccc(c(c2)OC)O)O)ccc1O
EC Number:
924-435-9
Properties
Complexity:
442  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
380.22g/mol
Formal Charge:
0
Heavy Atom Count:
27  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
380.481g/mol
Monoisotopic Mass:
380.22g/mol
Rotatable Bond Count:
10  
Topological Polar Surface Area:
96.2A^2
Undefined Atom Stereocenter Count:
4  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Properties