(3S,5S,8S,9S,10S,13S,14S,17R)-17-(2-bromoacetyl)-3,17-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-11-one
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![(3S,5S,8S,9S,10S,13S,14S,17R)-17-(2-bromoacetyl)-3,17-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-11-one structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/480a073eb0c44d289e049f860b605a87.png "(3S,5S,8S,9S,10S,13S,14S,17R)-17-(2-bromoacetyl)-3,17-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-11-one")
(3S,5S,8S,9S,10S,13S,14S,17R)-17-(2-bromoacetyl)-3,17-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-11-one
structure -
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CAS No:
20703-79-1
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Formula:
C21H31BrO4
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Chemical Name:
(3S,5S,8S,9S,10S,13S,14S,17R)-17-(2-bromoacetyl)-3,17-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-11-one
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Synonyms:
NSC88181;3.beta.,20-dione;ZINC4901052;NSC-88181;20703-79-1;5.alpha.-Pregnane-11, 21-bromo-3.beta.,17.alpha.-dihydroxy-;Pregnane-11, 21-bromo-3,17-dihydroxy-, (3.beta.,5.alpha.)-
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CAS No:
(3S,5S,8S,9S,10S,13S,14S,17R)-17-(2-bromoacetyl)-3,17-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-11-one Basic Attributes
427.4 g/mol
426.14057 g/mol
88181
Computed Properties
Molecular Weight:427.4
XLogP3:3.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:426.14057
Monoisotopic Mass:426.14057
Topological Polar Surface Area:74.6
Heavy Atom Count:26
Complexity:636
Defined Atom Stereocenter Count:8
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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