(3R,5R)-7-[(1S,2S,6S,8S,8aR)-6-hydroxy-2-methyl-8-[(2S)-2-methylbutanoyl]oxy-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]-3,5-dihydroxyheptanoic acid;2,4,4-trimethylpentan-2-amine


Chemical Name: (3R,5R)-7-[(1S,2S,6S,8S,8aR)-6-hydroxy-2-methyl-8-[(2S)-2-methylbutanoyl]oxy-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]-3,5-dihydroxyheptanoic acid;2,4,4-trimethylpentan-2-amine
CAS Number: 151006-14-3
Product Number: AG001N08(AGN-PC-07Y4UW)
Synonyms:
MDL No:
Molecular Formula: C31H55NO7
Molecular Weight: 553.7709

Identification/Properties


Computed Properties
Molecular Weight:
553.781g/mol
Hydrogen Bond Donor Count:
5
Hydrogen Bond Acceptor Count:
8
Rotatable Bond Count:
13
Exact Mass:
553.398g/mol
Monoisotopic Mass:
553.398g/mol
Topological Polar Surface Area:
150A^2
Heavy Atom Count:
39
Formal Charge:
0
Complexity:
743
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
8
Undefined Atom Stereocenter Count:
0
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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