1-(3-hydroxy-10,13-dimethyl-16-sulfanyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)ethanone
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![1-(3-hydroxy-10,13-dimethyl-16-sulfanyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)ethanone structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/b30acad40abf4a9f9e2500ada5430f90.png "1-(3-hydroxy-10,13-dimethyl-16-sulfanyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)ethanone")
1-(3-hydroxy-10,13-dimethyl-16-sulfanyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)ethanone
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CAS No:
1913-42-4
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Formula:
C21H32O2S
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Chemical Name:
1-(3-hydroxy-10,13-dimethyl-16-sulfanyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)ethanone
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Synonyms:
1913-42-4;3-hydroxy-16-sulfanylpregn-5-en-20-one;NSC36544;DTXSID90940724;NSC-36544;A815728;1-(10,13-dimethyl-3-oxidanyl-16-sulfanyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)ethanone;1-(3-hydroxy-16-mercapto-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)ethanone
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CAS No:
1-(3-hydroxy-10,13-dimethyl-16-sulfanyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)ethanone Basic Attributes
348.5 g/mol
348.21230143 g/mol
36544
Computed Properties
Molecular Weight:348.5
XLogP3:4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:348.21230143
Monoisotopic Mass:348.21230143
Topological Polar Surface Area:38.3
Heavy Atom Count:24
Complexity:584
Undefined Atom Stereocenter Count:8
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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