[17-(2-hydroxy-5-oxo-2H-furan-3-yl)-6-methoxy-4,4,8,10,13-pentamethyl-3-oxo-5,6,7,9,11,12,16,17-octahydrocyclopenta[a]phenanthren-7-yl] acetate
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[17-(2-hydroxy-5-oxo-2H-furan-3-yl)-6-methoxy-4,4,8,10,13-pentamethyl-3-oxo-5,6,7,9,11,12,16,17-octahydrocyclopenta[a]phenanthren-7-yl] acetate
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CAS No:
113375-81-8
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Formula:
C29H38O7
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Chemical Name:
[17-(2-hydroxy-5-oxo-2H-furan-3-yl)-6-methoxy-4,4,8,10,13-pentamethyl-3-oxo-5,6,7,9,11,12,16,17-octahydrocyclopenta[a]phenanthren-7-yl] acetate
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Synonyms:
113375-81-8;Isonimolide;7-(acetyloxy)-21-hydroxy-6-methoxy-4,4,8-trimethyl-3-oxocarda-1,14,20(22)-trienolide;DTXSID50921054
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CAS No:
[17-(2-hydroxy-5-oxo-2H-furan-3-yl)-6-methoxy-4,4,8,10,13-pentamethyl-3-oxo-5,6,7,9,11,12,16,17-octahydrocyclopenta[a]phenanthren-7-yl] acetate Basic Attributes
498.6 g/mol
498.26175355 g/mol
Computed Properties
Molecular Weight:498.6
XLogP3:3.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:4
Exact Mass:498.26175355
Monoisotopic Mass:498.26175355
Topological Polar Surface Area:99.1
Heavy Atom Count:36
Complexity:1110
Undefined Atom Stereocenter Count:9
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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