(1R,2E,7R,8E,10R,12R,13S,17R)-7-[(2R,4R,6R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-17-hydroxy-13-[(2R,4R,5S,6S)-5-hydroxy-4,6-dimethyl-7-oxononan-2-yl]-2,10,12,20-tetramethyl-14,21-dioxabicyclo[15.3.1]henicosa-2,8,19-trien-15-one


Chemical Name: (1R,2E,7R,8E,10R,12R,13S,17R)-7-[(2R,4R,6R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-17-hydroxy-13-[(2R,4R,5S,6S)-5-hydroxy-4,6-dimethyl-7-oxononan-2-yl]-2,10,12,20-tetramethyl-14,21-dioxabicyclo[15.3.1]henicosa-2,8,19-trien-15-one
CAS Number: 33538-72-6
Product Number: AG00BYDQ(AGN-PC-02LRXC)
Synonyms:
MDL No: MFCD08061904
Molecular Formula: C40H66O10
Molecular Weight: 706.9460

Identification/Properties


Computed Properties
Molecular Weight:
706.958g/mol
XLogP3:
5
Hydrogen Bond Donor Count:
4
Hydrogen Bond Acceptor Count:
10
Rotatable Bond Count:
9
Exact Mass:
706.466g/mol
Monoisotopic Mass:
706.466g/mol
Topological Polar Surface Area:
152A^2
Heavy Atom Count:
50
Formal Charge:
0
Complexity:
1200
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
14
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

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NMR Spectrum


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