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ASTAXANTHIN

CAS No.:
7542-45-2
Catalog Number:
AG00G2FK
Molecular Formula:
Molecular Weight:
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Product Description
Catalog Number:
AG00G2FK
Chemical Name:
ASTAXANTHIN
CAS Number:
7542-45-2
MDL Number:
MFCD00672621
IUPAC Name:
6-hydroxy-3-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-(4-hydroxy-2,6,6-trimethyl-3-oxocyclohexen-1-yl)-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-2,4,4-trimethylcyclohex-2-en-1-one
InChI:
InChI=1S/C40H52O4/c1-27(17-13-19-29(3)21-23-33-31(5)37(43)35(41)25-39(33,7)8)15-11-12-16-28(2)18-14-20-30(4)22-24-34-32(6)38(44)36(42)26-40(34,9)10/h11-24,35-36,41-42H,25-26H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,27-15+,28-16+,29-19+,30-20+
InChI Key:
MQZIGYBFDRPAKN-QISQUURKSA-N
EC Number:
231-424-6
NSC Number:
635689
Properties
Complexity:
1340  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
9  
Exact Mass:
596.387g/mol
Formal Charge:
0
Heavy Atom Count:
44  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
596.852g/mol
Monoisotopic Mass:
596.387g/mol
Rotatable Bond Count:
10  
Topological Polar Surface Area:
74.6A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
10.3  
Properties