[10-formyl-5-hydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,6,7,8,9,11,12,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl] 2-iodoacetate
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[10-formyl-5-hydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,6,7,8,9,11,12,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl] 2-iodoacetate
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CAS No:
17304-99-3
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Formula:
C25H31IO6
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Chemical Name:
[10-formyl-5-hydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,6,7,8,9,11,12,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl] 2-iodoacetate
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Synonyms:
17304-99-3;NSC98017;5-hydroxy-3-[(iodoacetyl)oxy]-19-oxocarda-14,20(22)-dienolide;DTXSID70938280;NSC-98017
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CAS No:
[10-formyl-5-hydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,6,7,8,9,11,12,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl] 2-iodoacetate Basic Attributes
554.4 g/mol
554.11654 g/mol
98017
Computed Properties
Molecular Weight:554.4
XLogP3:3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:5
Exact Mass:554.11654
Monoisotopic Mass:554.11654
Topological Polar Surface Area:89.9
Heavy Atom Count:32
Complexity:910
Undefined Atom Stereocenter Count:7
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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