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Home > Other Heterocycles > 75332-12-6
75332-12-6 | 3,8-Bis(acetyloxy)-7-[(1,3-benzodioxol-5-yl)methyl]-1-methoxy-6-methyl-5-(2-propenyl)bicyclo[3.2.1]oct-3-en-2-one
CAS No: 75332-12-6 Catalog No: AG00GMG5 MDL No:
Product Description
Catalog Number:
AG00GMG5
Chemical Name:
3,8-Bis(acetyloxy)-7-[(1,3-benzodioxol-5-yl)methyl]-1-methoxy-6-methyl-5-(2-propenyl)bicyclo[3.2.1]oct-3-en-2-one
CAS Number:
75332-12-6
IUPAC Name:
[3-acetyloxy-6-(1,3-benzodioxol-5-ylmethyl)-5-methoxy-7-methyl-4-oxo-1-prop-2-enyl-8-bicyclo[3.2.1]oct-2-enyl] acetate
InChI:
InChI=1S/C25H28O8/c1-6-9-24-12-21(32-15(3)26)22(28)25(29-5,23(24)33-16(4)27)18(14(24)2)10-17-7-8-19-20(11-17)31-13-30-19/h6-8,11-12,14,18,23H,1,9-10,13H2,2-5H3
InChI Key:
PPDQFMAECPIXDB-UHFFFAOYSA-N
Properties
Complexity:
865
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
456.178g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
456.491g/mol
Monoisotopic Mass:
456.178g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
97.4A^2
Undefined Atom Stereocenter Count:
5
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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