6-[(16,17-dihydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl)oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;sodium


Chemical Name: 6-[(16,17-dihydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl)oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;sodium
CAS Number: 15087-06-6
Product Number: AG001MWF(AGN-PC-00URMB)
Synonyms:
MDL No:
Molecular Formula: C24H31NaO9
Molecular Weight: 486.4873

Identification/Properties


Computed Properties
Molecular Weight:
487.501g/mol
Hydrogen Bond Donor Count:
6
Hydrogen Bond Acceptor Count:
9
Rotatable Bond Count:
3
Exact Mass:
487.194g/mol
Monoisotopic Mass:
487.194g/mol
Topological Polar Surface Area:
157A^2
Heavy Atom Count:
34
Formal Charge:
0
Complexity:
747
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
11
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
2
Compound Is Canonicalized:
Yes

Safety Information


NMR Spectrum


Other Analytical Data


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