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Home Halogens 3,7,11-Trimethyldodeca-2,6,10-trien-1-yl 2-(1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl)acetate

3,7,11-Trimethyldodeca-2,6,10-trien-1-yl 2-(1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl)acetate

CAS No.:
85801-02-1
Catalog Number:
AG00G64M
Molecular Formula:
C34H40ClNO4
Molecular Weight:
562.1387
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
98%
In Stock USA
United States
$175
- +
250mg
98%
In Stock USA
United States
$282
- +
1g
98%
In Stock USA
United States
$700
- +
Product Description
Catalog Number:
AG00G64M
Chemical Name:
3,7,11-Trimethyldodeca-2,6,10-trien-1-yl 2-(1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl)acetate
CAS Number:
85801-02-1
Molecular Formula:
C34H40ClNO4
Molecular Weight:
562.1387
MDL Number:
MFCD00870661
IUPAC Name:
[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl] 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetate
InChI:
InChI=1S/C34H40ClNO4/c1-23(2)9-7-10-24(3)11-8-12-25(4)19-20-40-33(37)22-30-26(5)36(32-18-17-29(39-6)21-31(30)32)34(38)27-13-15-28(35)16-14-27/h9,11,13-19,21H,7-8,10,12,20,22H2,1-6H3/b24-11+,25-19+
InChI Key:
CFIGYZZVJNJVDQ-LMJOQDENSA-N
SMILES:
COc1ccc2c(c1)c(CC(=O)OC/C=C(/CC/C=C(/CCC=C(C)C)\C)\C)c(n2C(=O)c1ccc(cc1)Cl)C
UNII:
MB2386WGG8
Properties
Complexity:
928  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
2  
Exact Mass:
561.265g/mol
Formal Charge:
0
Heavy Atom Count:
40  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
562.147g/mol
Monoisotopic Mass:
561.265g/mol
Rotatable Bond Count:
13  
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
9.8  
Literature
Title Journal
Pseudogout of the acromioclavicular joint: report of two cases and review of the literature. Modern rheumatology 20110801
Successful treatment of primary Sjögren's syndrome with chronic natural killer lymphocytosis by high-dose prednisolone and indomethacin farnesil. Internal medicine (Tokyo, Japan) 20070101
Properties