[(3S,8R,9S,10R,13S,14S,17R)-17-acetyl-3-hydroxy-6,10,13-trimethyl-1,2,3,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl] hexanoate
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[(3S,8R,9S,10R,13S,14S,17R)-17-acetyl-3-hydroxy-6,10,13-trimethyl-1,2,3,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl] hexanoate
structure -
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CAS No:
90509-06-1
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Formula:
C28H42O4
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Chemical Name:
[(3S,8R,9S,10R,13S,14S,17R)-17-acetyl-3-hydroxy-6,10,13-trimethyl-1,2,3,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl] hexanoate
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Synonyms:
90509-06-1;DTXSID60920351;ZINC31502319;3-hydroxy-6-methyl-20-oxopregna-4,6-dien-17-yl hexanoate;Pregna-4,6-dien-20-one, 3-hydroxy-6-methyl-17-((1-oxohexyl)oxy)-, (3beta)-
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CAS No:
[(3S,8R,9S,10R,13S,14S,17R)-17-acetyl-3-hydroxy-6,10,13-trimethyl-1,2,3,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl] hexanoate Basic Attributes
442.6 g/mol
442.30830982 g/mol
Computed Properties
Molecular Weight:442.6
XLogP3:5.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:7
Exact Mass:442.30830982
Monoisotopic Mass:442.30830982
Topological Polar Surface Area:63.6
Heavy Atom Count:32
Complexity:840
Defined Atom Stereocenter Count:7
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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