2-[(3S,10S,13R,14R,17S)-3-hydroxy-4,4,10,13-tetramethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,5,6,7,11,12,17-octahydro-1H-cyclopenta[a]phenanthren-14-yl]acetic acid
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![2-[(3S,10S,13R,14R,17S)-3-hydroxy-4,4,10,13-tetramethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,5,6,7,11,12,17-octahydro-1H-cyclopenta[a]phenanthren-14-yl]acetic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/87b14a6cf8274fa6ba33613a8da43237.png "2-[(3S,10S,13R,14R,17S)-3-hydroxy-4,4,10,13-tetramethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,5,6,7,11,12,17-octahydro-1H-cyclopenta[a]phenanthren-14-yl]acetic acid")
2-[(3S,10S,13R,14R,17S)-3-hydroxy-4,4,10,13-tetramethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,5,6,7,11,12,17-octahydro-1H-cyclopenta[a]phenanthren-14-yl]acetic acid
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CAS No:
136209-43-3
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Formula:
C31H50O3
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Chemical Name:
2-[(3S,10S,13R,14R,17S)-3-hydroxy-4,4,10,13-tetramethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,5,6,7,11,12,17-octahydro-1H-cyclopenta[a]phenanthren-14-yl]acetic acid
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Synonyms:
SK and F 104976;SK and F-104976;SKF 104976;SK&F 104976;Skf 104976;SK&F-104976;SCHEMBL9766777;(3beta)-3-Hydroxylanosta-8,15-diene-30-carboxylic acid;2-[(3S,10S,13R,14R,17S)-3-hydroxy-4,4,10,13-tetramethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,5,6,7,11,12,17-octahydro-1H-cyclopenta[a]phenanthren-14-yl]acetic acid;Lanosta-8,15-diene-30-carboxylic acid, 3-hydroxy-, (3beta)-
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CAS No:
2-[(3S,10S,13R,14R,17S)-3-hydroxy-4,4,10,13-tetramethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,5,6,7,11,12,17-octahydro-1H-cyclopenta[a]phenanthren-14-yl]acetic acid Basic Attributes
470.7 g/mol
470.37599545 g/mol
Computed Properties
Molecular Weight:470.7
XLogP3:7.9
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:7
Exact Mass:470.37599545
Monoisotopic Mass:470.37599545
Topological Polar Surface Area:57.5
Heavy Atom Count:34
Complexity:866
Defined Atom Stereocenter Count:6
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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