3,6-Methanocyclopenta[c]pyran-1(3H)-one,7-benzoylhexahydro-4a,6,7a-trihydroxy-5-(4-methoxy-2-oxo-2H-pyran-6-yl)-, [3S-(3a,4ab,5a,6b,7b,7ab)]-


Chemical Name: 3,6-Methanocyclopenta[c]pyran-1(3H)-one,7-benzoylhexahydro-4a,6,7a-trihydroxy-5-(4-methoxy-2-oxo-2H-pyran-6-yl)-, [3S-(3a,4ab,5a,6b,7b,7ab)]-
CAS Number: 108605-51-2
Product Number: AG0094DU(AGN-PC-0OYO80)
Synonyms:
MDL No:
Molecular Formula: C22H20O9
Molecular Weight: 428.3888

Identification/Properties


Computed Properties
Molecular Weight:
428.393g/mol
XLogP3:
0
Hydrogen Bond Donor Count:
3
Hydrogen Bond Acceptor Count:
9
Rotatable Bond Count:
4
Exact Mass:
428.111g/mol
Monoisotopic Mass:
428.111g/mol
Topological Polar Surface Area:
140A^2
Heavy Atom Count:
31
Formal Charge:
0
Complexity:
916
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
6
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


Request for Quotation


Customer Feedback