Butanoic acid, 3-methyl-,(1S,2'R,6S,7aS)-4-[(acetyloxy)methyl]-6,7a-dihydrospiro[cyclopenta[c]pyran-7(1H),2'-oxirane]-1,6-diyl ester


Chemical Name: Butanoic acid, 3-methyl-,(1S,2'R,6S,7aS)-4-[(acetyloxy)methyl]-6,7a-dihydrospiro[cyclopenta[c]pyran-7(1H),2'-oxirane]-1,6-diyl ester
CAS Number: 18296-44-1
Product Number: AG0024AZ(AGN-PC-0QCDAR)
Synonyms:
MDL No:
Molecular Formula: C22H30O8
Molecular Weight: 422.4688

Identification/Properties


Computed Properties
Molecular Weight:
422.474g/mol
XLogP3:
1.8
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
8
Rotatable Bond Count:
11
Exact Mass:
422.194g/mol
Monoisotopic Mass:
422.194g/mol
Topological Polar Surface Area:
101A^2
Heavy Atom Count:
30
Formal Charge:
0
Complexity:
765
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
4
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


NMR Spectrum


Other Analytical Data


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