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Eupalinolide A

CAS No.:
877822-41-8
Catalog Number:
AG00GV5C
Molecular Formula:
Molecular Weight:
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Product Description
Catalog Number:
AG00GV5C
Chemical Name:
Eupalinolide A
CAS Number:
877822-41-8
MDL Number:
MFCD23379927
IUPAC Name:
[(3aR,4R,6Z,9S,10E,11aR)-9-acetyloxy-6-(acetyloxymethyl)-10-methyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] (E)-4-hydroxy-2-methylbut-2-enoate
InChI:
InChI=1S/C24H30O9/c1-13(8-9-25)23(28)32-21-11-18(12-30-16(4)26)6-7-19(31-17(5)27)14(2)10-20-22(21)15(3)24(29)33-20/h6,8,10,19-22,25H,3,7,9,11-12H2,1-2,4-5H3/b13-8+,14-10+,18-6-/t19-,20+,21+,22-/m0/s1
InChI Key:
HPWMABTYJYZFLK-FHEQDPKSSA-N
Properties
Complexity:
909  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
4  
Defined Bond Stereocenter Count:
3  
Exact Mass:
462.189g/mol
Formal Charge:
0
Heavy Atom Count:
33  
Hydrogen Bond Acceptor Count:
9  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
462.495g/mol
Monoisotopic Mass:
462.189g/mol
Rotatable Bond Count:
9  
Topological Polar Surface Area:
125A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  
Literature
Title Journal
Preparative isolation and purification of three sesquiterpenoid lactones from Eupatorium lindleyanum DC. by high-speed counter-current chromatography. Molecules (Basel, Switzerland) 20120727
Purification and characterization of HSP-inducers from Eupatorium lindleyanum. Biochemical pharmacology 20120401
Properties