(2S)-2-hydroxy-2-[(8S,9S,10R,11S,13S,14S,17S)-11-hydroxy-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]acetic acid
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![(2S)-2-hydroxy-2-[(8S,9S,10R,11S,13S,14S,17S)-11-hydroxy-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]acetic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/4e0cd82dd79d49e898583aec5dbd4db4.png "(2S)-2-hydroxy-2-[(8S,9S,10R,11S,13S,14S,17S)-11-hydroxy-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]acetic acid")
(2S)-2-hydroxy-2-[(8S,9S,10R,11S,13S,14S,17S)-11-hydroxy-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]acetic acid
structure -
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CAS No:
27149-68-4
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Formula:
C21H30O5
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Chemical Name:
(2S)-2-hydroxy-2-[(8S,9S,10R,11S,13S,14S,17S)-11-hydroxy-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]acetic acid
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Synonyms:
11 beta,20 beta-dihydroxy-4-pregnene-3-one-21-oic acid;11,20-dihydroxy-4-pregnene-3-one-21-oic acid;DiOH-4-POA;27149-68-4;Dioh-4-poa;11,20-Dihydroxy-4-pregnene-3-one-21-oic acid;11beta,20 beta-Dihydroxy-4-pregnene-3-one-21-oic acid;DTXSID90949898;11,20-Dihydroxy-3-oxopregn-4-en-21-oic acid
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CAS No:
(2S)-2-hydroxy-2-[(8S,9S,10R,11S,13S,14S,17S)-11-hydroxy-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]acetic acid Basic Attributes
362.5 g/mol
362.20932405 g/mol
Computed Properties
Molecular Weight:362.5
XLogP3:1.9
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:2
Exact Mass:362.20932405
Monoisotopic Mass:362.20932405
Topological Polar Surface Area:94.8
Heavy Atom Count:26
Complexity:669
Defined Atom Stereocenter Count:8
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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