(2S)-2-hydroxy-2-[(3R,5R,8S,9S,10S,11S,13S,14S,17R)-3,11,17-trihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-yl]acetic acid
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![(2S)-2-hydroxy-2-[(3R,5R,8S,9S,10S,11S,13S,14S,17R)-3,11,17-trihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-yl]acetic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/469ec9556c124548829354cffe8b29d0.png "(2S)-2-hydroxy-2-[(3R,5R,8S,9S,10S,11S,13S,14S,17R)-3,11,17-trihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-yl]acetic acid")
(2S)-2-hydroxy-2-[(3R,5R,8S,9S,10S,11S,13S,14S,17R)-3,11,17-trihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-yl]acetic acid
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CAS No:
52077-59-5
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Formula:
C21H34O6
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Chemical Name:
(2S)-2-hydroxy-2-[(3R,5R,8S,9S,10S,11S,13S,14S,17R)-3,11,17-trihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-yl]acetic acid
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Synonyms:
cortolic acid;Cortolic acid;52077-59-5;DTXSID40966439;(2S)-2-hydroxy-2-[(3R,5R,8S,9S,10S,11S,13S,14S,17R)-3,11,17-trihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-yl]acetic acid;3,11,17,20-tetrahydroxypregnan-21-oic acid;3alpha,11beta,17,20-Tetrahydroxypregnan-21-oic acid
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CAS No:
(2S)-2-hydroxy-2-[(3R,5R,8S,9S,10S,11S,13S,14S,17R)-3,11,17-trihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-yl]acetic acid Basic Attributes
382.5 g/mol
382.23553880 g/mol
Computed Properties
Molecular Weight:382.5
XLogP3:2.3
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:2
Exact Mass:382.23553880
Monoisotopic Mass:382.23553880
Topological Polar Surface Area:118
Heavy Atom Count:27
Complexity:624
Defined Atom Stereocenter Count:10
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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