(5S,8R,9S,10S,13S,14S,17S)-17-acetyloxy-10,13-dimethyl-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-2-carboxylic acid
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![(5S,8R,9S,10S,13S,14S,17S)-17-acetyloxy-10,13-dimethyl-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-2-carboxylic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/8169308f185d437f8ee8fdeffa1de8e2.png "(5S,8R,9S,10S,13S,14S,17S)-17-acetyloxy-10,13-dimethyl-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-2-carboxylic acid")
(5S,8R,9S,10S,13S,14S,17S)-17-acetyloxy-10,13-dimethyl-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-2-carboxylic acid
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CAS No:
1101-30-0
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Formula:
C22H32O4
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Chemical Name:
(5S,8R,9S,10S,13S,14S,17S)-17-acetyloxy-10,13-dimethyl-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-2-carboxylic acid
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Synonyms:
1101-30-0;NSC60799;DTXSID90911494;ZINC4743118;NSC-60799;17-(Acetyloxy)androst-2-ene-2-carboxylic acid
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CAS No:
(5S,8R,9S,10S,13S,14S,17S)-17-acetyloxy-10,13-dimethyl-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-2-carboxylic acid Basic Attributes
360.5 g/mol
360.23005950 g/mol
60799
Computed Properties
Molecular Weight:360.5
XLogP3:4.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:360.23005950
Monoisotopic Mass:360.23005950
Topological Polar Surface Area:63.6
Heavy Atom Count:26
Complexity:653
Defined Atom Stereocenter Count:7
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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