2-hydroxy-1-[(1R,2S,4R,8S,9S,12S,13R,16S)-16-hydroxy-6,6,9,13-tetramethyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-en-8-yl]ethanone
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2-hydroxy-1-[(1R,2S,4R,8S,9S,12S,13R,16S)-16-hydroxy-6,6,9,13-tetramethyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-en-8-yl]ethanone
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CAS No:
14105-50-1
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Formula:
C24H36O5
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Chemical Name:
2-hydroxy-1-[(1R,2S,4R,8S,9S,12S,13R,16S)-16-hydroxy-6,6,9,13-tetramethyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-en-8-yl]ethanone
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Synonyms:
14105-50-1;MLS002693372;NSC62348;ZINC4743620;NSC-62348;Pregn-5-en-20-one, 3,21-dihydroxy-16,17-[(1-methylethylidene)bis(oxy)]-, (3beta,16alpha)-
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CAS No:
2-hydroxy-1-[(1R,2S,4R,8S,9S,12S,13R,16S)-16-hydroxy-6,6,9,13-tetramethyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-en-8-yl]ethanone Basic Attributes
404.5 g/mol
404.25627424 g/mol
62348
Computed Properties
Molecular Weight:404.5
XLogP3:2.8
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:2
Exact Mass:404.25627424
Monoisotopic Mass:404.25627424
Topological Polar Surface Area:76
Heavy Atom Count:29
Complexity:758
Defined Atom Stereocenter Count:8
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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