orb1694692 structure

orb1694692

(5,10-dimethyl-15-oxo-8,14,16-trioxatetracyclo[10.2.2.01,13.07,11]hexadeca-5,7(11),9-trien-4-yl) acetate

Also Known As: (1aS,4R,5Z,10S,10aS)-4-Acetoxy-3,4,10,10a-tetrahydro-5,9-dimethyl-2H-10,1a-(epoxymethano)oxireno[4,5]cyclodeca[1,2-b]furan-12-one

CAS: 20149-41-1
Molecular Formula C17H18O6
Molecular Weight 318.11035 g/mol
LogP 1.4
Topological Polar Surface Area 78.3 Ų
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 6
Rotatable Bonds 2
Exact Mass 318.11035
Monoisotopic Mass 318.11035
Heavy Atoms 23
Complexity 584.0

Chemical Identifiers

CAS Number 20149-41-1
SMILES CC1=CC2=C(C3C4C(O4)(CCC1OC(=O)C)C(=O)O3)C(=CO2)C
InChIKey ZJPVGXJXVIUSQM-UHFFFAOYSA-N

Product Overview

orb1694692 (CAS 20149-41-1), with molecular formula C17H18O6 and molecular weight 318.11035 g/mol. IUPAC: (5,10-dimethyl-15-oxo-8,14,16-trioxatetracyclo[10.2.2.01,13.07,11]hexadeca-5,7(11),9-trien-4-yl) acetate.

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