[(3S,5S,8R,9S,10S,13S,14S,17S)-17-[(1R)-1-acetyloxyethyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
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[(3S,5S,8R,9S,10S,13S,14S,17S)-17-[(1R)-1-acetyloxyethyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
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CAS No:
6057-94-9
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Formula:
C25H40O4
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Chemical Name:
[(3S,5S,8R,9S,10S,13S,14S,17S)-17-[(1R)-1-acetyloxyethyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
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Synonyms:
Allopregnane-3beta,20beta-diol diacetate;UNII-3N6I9ZE156;3N6I9ZE156;ZINC6037032;Allopregnane-3beta,20beta-diol diacetate [MI];Q27257723;Pregnane-3,20-diol, diacetate, (3beta,5alpha,20R)-
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CAS No:
[(3S,5S,8R,9S,10S,13S,14S,17S)-17-[(1R)-1-acetyloxyethyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate Basic Attributes
404.6 g/mol
404.29265975 g/mol
3N6I9ZE156
Computed Properties
Molecular Weight:404.6
XLogP3:6.3
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:5
Exact Mass:404.29265975
Monoisotopic Mass:404.29265975
Topological Polar Surface Area:52.6
Heavy Atom Count:29
Complexity:659
Defined Atom Stereocenter Count:9
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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