(3aS,5aS,9aS,9bS)-3-ethynyl-3-hydroxy-3a-methyl-7-methylidenespiro[2,4,5,5a,8,9,9a,9b-octahydro-1H-cyclopenta[a]naphthalene-6,2'-cyclopentane]-1'-one
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![(3aS,5aS,9aS,9bS)-3-ethynyl-3-hydroxy-3a-methyl-7-methylidenespiro[2,4,5,5a,8,9,9a,9b-octahydro-1H-cyclopenta[a]naphthalene-6,2'-cyclopentane]-1'-one structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/9e4953567669481d834e34c8a157c518.png "(3aS,5aS,9aS,9bS)-3-ethynyl-3-hydroxy-3a-methyl-7-methylidenespiro[2,4,5,5a,8,9,9a,9b-octahydro-1H-cyclopenta[a]naphthalene-6,2'-cyclopentane]-1'-one")
(3aS,5aS,9aS,9bS)-3-ethynyl-3-hydroxy-3a-methyl-7-methylidenespiro[2,4,5,5a,8,9,9a,9b-octahydro-1H-cyclopenta[a]naphthalene-6,2'-cyclopentane]-1'-one
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CAS No:
61599-38-0
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Formula:
C21H28O2
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Chemical Name:
(3aS,5aS,9aS,9bS)-3-ethynyl-3-hydroxy-3a-methyl-7-methylidenespiro[2,4,5,5a,8,9,9a,9b-octahydro-1H-cyclopenta[a]naphthalene-6,2'-cyclopentane]-1'-one
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Synonyms:
(10R)-17 beta-hydroxy-5-methylene-4,10-cyclo-19-nor-4,5-seco-17 alpha-pregn-20-yn-1-one;61599-38-0;3,19-Cyclo-3,4-secopregn-4-en-20-yn-1-one, 17-hydroxy-, (17alpha)-;(10R)-17beta-Hydroxy-5-methylene-4,10-cyclo-19-nor-4,5-seco-17alpha-pregn-20-yn-1-one
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CAS No:
(3aS,5aS,9aS,9bS)-3-ethynyl-3-hydroxy-3a-methyl-7-methylidenespiro[2,4,5,5a,8,9,9a,9b-octahydro-1H-cyclopenta[a]naphthalene-6,2'-cyclopentane]-1'-one Basic Attributes
312.4 g/mol
312.208930132 g/mol
Drug Information
(10R)-17 beta-hydroxy-5-methylene-4,10-cyclo-19-nor-4,5-seco-17 alpha-pregn-20-yn-1-one
Computed Properties
Molecular Weight:312.4
XLogP3:3.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:312.208930132
Monoisotopic Mass:312.208930132
Topological Polar Surface Area:37.3
Heavy Atom Count:23
Complexity:625
Defined Atom Stereocenter Count:4
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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