[2-[(6S,8S,9R,10S,11S,13S,14S,17R)-9-bromo-11,17-dihydroxy-6,10,13-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate
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[2-[(6S,8S,9R,10S,11S,13S,14S,17R)-9-bromo-11,17-dihydroxy-6,10,13-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate
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CAS No:
93052-90-5
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Formula:
C24H31BrO6
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Chemical Name:
[2-[(6S,8S,9R,10S,11S,13S,14S,17R)-9-bromo-11,17-dihydroxy-6,10,13-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate
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Synonyms:
93052-90-5;NSC63539;9-Bromo-11,17-dihydroxy-6-methyl-3,20-dioxopregna-1,4-dien-21-yl acetate;NSC 63539;SCHEMBL9275445;ZINC4744085;NSC-63539;Pregna-1,20-dione, 9-bromo-11.beta.,17,21-trihydroxy-6.alpha.-methyl-, 21-acetate
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CAS No:
[2-[(6S,8S,9R,10S,11S,13S,14S,17R)-9-bromo-11,17-dihydroxy-6,10,13-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate Basic Attributes
495.4 g/mol
494.13040 g/mol
63539
Computed Properties
Molecular Weight:495.4
XLogP3:2.3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:4
Exact Mass:494.13040
Monoisotopic Mass:494.13040
Topological Polar Surface Area:101
Heavy Atom Count:31
Complexity:910
Defined Atom Stereocenter Count:8
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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