4-[(3S,3aR,5aR,6S,9aS,9bR)-3-hydroxy-3a,6-dimethyl-2,3,4,5,5a,7,8,9,9a,9b-decahydro-1H-cyclopenta[a]naphthalen-6-yl]butan-2-one
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![4-[(3S,3aR,5aR,6S,9aS,9bR)-3-hydroxy-3a,6-dimethyl-2,3,4,5,5a,7,8,9,9a,9b-decahydro-1H-cyclopenta[a]naphthalen-6-yl]butan-2-one structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/943b4cb994c340b4b03b0e3a3265eccd.png "4-[(3S,3aR,5aR,6S,9aS,9bR)-3-hydroxy-3a,6-dimethyl-2,3,4,5,5a,7,8,9,9a,9b-decahydro-1H-cyclopenta[a]naphthalen-6-yl]butan-2-one")
4-[(3S,3aR,5aR,6S,9aS,9bR)-3-hydroxy-3a,6-dimethyl-2,3,4,5,5a,7,8,9,9a,9b-decahydro-1H-cyclopenta[a]naphthalen-6-yl]butan-2-one
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CAS No:
76760-84-4
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Formula:
C19H32O2
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Chemical Name:
4-[(3S,3aR,5aR,6S,9aS,9bR)-3-hydroxy-3a,6-dimethyl-2,3,4,5,5a,7,8,9,9a,9b-decahydro-1H-cyclopenta[a]naphthalen-6-yl]butan-2-one
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Synonyms:
17-hydroxy-4,5-secoandrostan-3-one;4,5-secodihydrotestosterone;76760-84-4;4-[(3s,3ar,5ar,6s,9as,9br)-3-hydroxy-3a,6-dimethyldodecahydro-1h-cyclopenta[a]naphthalen-6-yl]butan-2-one;DTXSID00998079;4-[(3S,3aR,5aR,6S,9aS,9bR)-3-hydroxy-3a,6-dimethyl-2,3,4,5,5a,7,8,9,9a,9b-decahydro-1H-cyclopenta[a]naphthalen-6-yl]butan-2-one;4-(3-Hydroxy-3a,6-dimethyldodecahydro-1H-cyclopenta[a]naphthalen-6-yl)butan-2-one
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CAS No:
4-[(3S,3aR,5aR,6S,9aS,9bR)-3-hydroxy-3a,6-dimethyl-2,3,4,5,5a,7,8,9,9a,9b-decahydro-1H-cyclopenta[a]naphthalen-6-yl]butan-2-one Basic Attributes
292.5 g/mol
292.240230259 g/mol
Computed Properties
Molecular Weight:292.5
XLogP3:4.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:292.240230259
Monoisotopic Mass:292.240230259
Topological Polar Surface Area:37.3
Heavy Atom Count:21
Complexity:418
Defined Atom Stereocenter Count:6
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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