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Coconut oil fatty acid

CAS No.:
61788-47-4
Catalog Number:
AG00EB2Q
Molecular Formula:
Molecular Weight:
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Product Description
Catalog Number:
AG00EB2Q
Chemical Name:
Coconut oil fatty acid
CAS Number:
61788-47-4
MDL Number:
MFCD00002736
IUPAC Name:
(4R,4aR,7S,7aR,12bS)-7-hydroxy-9-methoxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-11-carboxylic acid
InChI:
InChI=1S/C19H21NO5/c1-20-6-5-19-11-3-4-13(21)17(19)25-16-14(24-2)8-10(18(22)23)9(15(16)19)7-12(11)20/h3-4,8,11-13,17,21H,5-7H2,1-2H3,(H,22,23)/t11-,12+,13-,17-,19-/m0/s1
InChI Key:
PZKXRDPRLQDAFK-IWKDVGJASA-N
EC Number:
262-978-7
Properties
Complexity:
623  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
5  
Defined Bond Stereocenter Count:
0
Exact Mass:
343.142g/mol
Formal Charge:
0
Heavy Atom Count:
25  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
343.379g/mol
Monoisotopic Mass:
343.142g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
79.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.6  
Literature
Title Journal
[UV spectrophotometric research of drug mixture in sudden poisoning cases]. Medicina (Kaunas, Lithuania) 20030101
Properties