4-[[(2R,3aS,3bS,5aS,6R,8aS,8bR,10aS)-2-(3-carboxypropanoyloxy)-2,6-diethynyl-3a,5a-dimethyl-1,3,3b,4,5,7,8,8a,8b,9,10,10a-dodecahydroindeno[5,4-e]inden-6-yl]oxy]-4-oxobutanoic acid
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![4-[[(2R,3aS,3bS,5aS,6R,8aS,8bR,10aS)-2-(3-carboxypropanoyloxy)-2,6-diethynyl-3a,5a-dimethyl-1,3,3b,4,5,7,8,8a,8b,9,10,10a-dodecahydroindeno[5,4-e]inden-6-yl]oxy]-4-oxobutanoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/6239010432bd4c79b2c5a028dfde283e.png "4-[[(2R,3aS,3bS,5aS,6R,8aS,8bR,10aS)-2-(3-carboxypropanoyloxy)-2,6-diethynyl-3a,5a-dimethyl-1,3,3b,4,5,7,8,8a,8b,9,10,10a-dodecahydroindeno[5,4-e]inden-6-yl]oxy]-4-oxobutanoic acid")
4-[[(2R,3aS,3bS,5aS,6R,8aS,8bR,10aS)-2-(3-carboxypropanoyloxy)-2,6-diethynyl-3a,5a-dimethyl-1,3,3b,4,5,7,8,8a,8b,9,10,10a-dodecahydroindeno[5,4-e]inden-6-yl]oxy]-4-oxobutanoic acid
structure -
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CAS No:
99814-12-7
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Formula:
C30H38O8
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Chemical Name:
4-[[(2R,3aS,3bS,5aS,6R,8aS,8bR,10aS)-2-(3-carboxypropanoyloxy)-2,6-diethynyl-3a,5a-dimethyl-1,3,3b,4,5,7,8,8a,8b,9,10,10a-dodecahydroindeno[5,4-e]inden-6-yl]oxy]-4-oxobutanoic acid
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Synonyms:
2,17-diethynyl-A-nor-5-alpha-androstane-2,17-diol-dihemisuccinate;SIPPR 113;SIPPR-113;99814-12-7;Sippr 113;Sippr-113;2-alpha,17-alpha-Diethynyl-A-nor-5-alpha-androstane-2-beta,17-beta-diol dihemisuccinate;A-Norpregn-20-yne-2,17-diol, 2-ethynyl-, bis(hydrogen butanedioate), (2-beta,5-alpha,17-alpha);DTXSID30912460;A-Nor-5-alpha,17-alpha-pregn-20-yne-2-beta,17-diol, 2-ethynyl-, dihemisuccinate;A-Norpregn-20-yne-2,17-diol, 2-ethynyl-, bis(hydrogen butanedioate), (2beta,5alpha,17alpha)-;2,17-diethynyl-A-nor-5-alpha-androstane-2,17-diol-dihemisuccinate;4,4'-[(1,7-Diethynyl-8a,10a-dimethylhexadecahydrodicyclopenta[a,f]naphthalene-1,7-diyl)bis(oxy)]bis(4-oxobutanoic acid)
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CAS No:
4-[[(2R,3aS,3bS,5aS,6R,8aS,8bR,10aS)-2-(3-carboxypropanoyloxy)-2,6-diethynyl-3a,5a-dimethyl-1,3,3b,4,5,7,8,8a,8b,9,10,10a-dodecahydroindeno[5,4-e]inden-6-yl]oxy]-4-oxobutanoic acid Basic Attributes
526.6 g/mol
526.25666817 g/mol
Computed Properties
Molecular Weight:526.6
XLogP3:3.7
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:12
Exact Mass:526.25666817
Monoisotopic Mass:526.25666817
Topological Polar Surface Area:127
Heavy Atom Count:38
Complexity:1120
Defined Atom Stereocenter Count:8
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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