[(1S,4aS,5R,7aS)-4a,5-dihydroxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,5,6,7a-tetrahydrocyclopenta[c]pyran-7-yl] (E)-3-phenylprop-2-enoate


Chemical Name: [(1S,4aS,5R,7aS)-4a,5-dihydroxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,5,6,7a-tetrahydrocyclopenta[c]pyran-7-yl] (E)-3-phenylprop-2-enoate
CAS Number: 19210-12-9
Product Number: AG0074IX(AGN-PC-00IYAN)
Synonyms:
MDL No: MFCD00017415
Molecular Formula: C24H30O11
Molecular Weight: 494.4884

Identification/Properties


Computed Properties
Molecular Weight:
494.493g/mol
XLogP3:
-0.6
Hydrogen Bond Donor Count:
6
Hydrogen Bond Acceptor Count:
11
Rotatable Bond Count:
7
Exact Mass:
494.179g/mol
Monoisotopic Mass:
494.179g/mol
Topological Polar Surface Area:
175A^2
Heavy Atom Count:
35
Formal Charge:
0
Complexity:
811
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
10
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H302
Precautionary Statements:
P280-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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