2,4-Pyrrolidinedione,1-methyl-3-[(4S,6R)-1,8,9,11,13,15,17,19,21,23,25,26,27,28,29-pentadecahydroxy-2,4,6,10,14,16-hexamethyl-30-[(2R,3S,4S,5S,6S)-tetrahydro-3,4,5,6-tetrahydroxy-6-[(2R)-2-hydroxydodecyl]-2H-pyran-2-yl]-2-triacontenylidene]-


Chemical Name: 2,4-Pyrrolidinedione,1-methyl-3-[(4S,6R)-1,8,9,11,13,15,17,19,21,23,25,26,27,28,29-pentadecahydroxy-2,4,6,10,14,16-hexamethyl-30-[(2R,3S,4S,5S,6S)-tetrahydro-3,4,5,6-tetrahydroxy-6-[(2R)-2-hydroxydodecyl]-2H-pyran-2-yl]-2-triacontenylidene]-
CAS Number: 100513-53-9
Product Number: AG007GWD(AGN-PC-0OPS57)
Synonyms:
MDL No: MFCD01770492
Molecular Formula: C43H86O
Molecular Weight: 619.1423

Identification/Properties


Computed Properties
Molecular Weight:
1186.478g/mol
XLogP3:
1.9
Hydrogen Bond Donor Count:
20
Hydrogen Bond Acceptor Count:
23
Rotatable Bond Count:
40
Exact Mass:
1185.723g/mol
Monoisotopic Mass:
1185.723g/mol
Topological Polar Surface Area:
451A^2
Heavy Atom Count:
82
Formal Charge:
0
Complexity:
1920
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
25
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

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NMR Spectrum


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