[(2R,8R,13R)-8,13-dihydroxy-1-(5-hydroxy-5-methyl-2-oxofuran-3-yl)-13-[(2R,5R)-5-[(1R)-1-hydroxytridecyl]oxolan-2-yl]tridecan-2-yl] acetate
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[(2R,8R,13R)-8,13-dihydroxy-1-(5-hydroxy-5-methyl-2-oxofuran-3-yl)-13-[(2R,5R)-5-[(1R)-1-hydroxytridecyl]oxolan-2-yl]tridecan-2-yl] acetate
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CAS No:
209116-40-5
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Formula:
C37H66O9
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Chemical Name:
[(2R,8R,13R)-8,13-dihydroxy-1-(5-hydroxy-5-methyl-2-oxofuran-3-yl)-13-[(2R,5R)-5-[(1R)-1-hydroxytridecyl]oxolan-2-yl]tridecan-2-yl] acetate
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Synonyms:
UNII-P7TMX2BLZ5;P7TMX2BLZ5;donnaienin C;2(5H)-Furanone, 3-((2R,8R,13R)-2-(acetyloxy)-8,13-dihydroxy-13-((2R,5R)-tetrahydro-5-((1R)-1-hydroxytridecyl)-2-furanyl)tridecyl)-5-hydroxy-5-methyl-;209116-40-5;3-((2R,8R,13R)-2-(Acetyloxy)-8,13-dihydroxy-13-((2R,5R)-tetrahydro-5-((1R)-1-hydroxytridecyl)-2-furanyl)tridecyl)-5-hydroxy-5-methyl-2(5H)-furanone
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CAS No:
[(2R,8R,13R)-8,13-dihydroxy-1-(5-hydroxy-5-methyl-2-oxofuran-3-yl)-13-[(2R,5R)-5-[(1R)-1-hydroxytridecyl]oxolan-2-yl]tridecan-2-yl] acetate Basic Attributes
654.9 g/mol
654.47068368 g/mol
P7TMX2BLZ5
Computed Properties
Molecular Weight:654.9
XLogP3:8.2
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:28
Exact Mass:654.47068368
Monoisotopic Mass:654.47068368
Topological Polar Surface Area:143
Heavy Atom Count:46
Complexity:877
Defined Atom Stereocenter Count:6
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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