(4R)-4-[(9R,10S,13R,17R)-3-hydroxy-10,13-dimethyl-15-oxo-1,2,3,4,5,6,7,9,11,12,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid
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![(4R)-4-[(9R,10S,13R,17R)-3-hydroxy-10,13-dimethyl-15-oxo-1,2,3,4,5,6,7,9,11,12,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/cdad69887ec4417e83d24773c4833664.png "(4R)-4-[(9R,10S,13R,17R)-3-hydroxy-10,13-dimethyl-15-oxo-1,2,3,4,5,6,7,9,11,12,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid")
(4R)-4-[(9R,10S,13R,17R)-3-hydroxy-10,13-dimethyl-15-oxo-1,2,3,4,5,6,7,9,11,12,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid
structure -
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CAS No:
136320-56-4
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Formula:
C24H36O4
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Chemical Name:
(4R)-4-[(9R,10S,13R,17R)-3-hydroxy-10,13-dimethyl-15-oxo-1,2,3,4,5,6,7,9,11,12,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid
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Synonyms:
3 beta-hydroxy-15-keto-5 alpha-chol-8(14)-en-24-oic acid;3-hydroxy-15-keto-chol-8(14)-en-24-oic acid;3-hydroxy-15-oxo-chol-8(14)-en-24-oic acid;HKD8(14)C24A;136320-56-4;Hkd8(14)C24A;3-Hydroxy-15-oxo-chol-8(14)-en-24-oic acid;3-Hydroxy-15-keto-chol-8(14)-en-24-oic acid;3beta-Hydroxy-15-keto-5alpha-chol-8(14)-en-24-oic acid;DTXSID20929325;(4R)-4-[(9R,10S,13R,17R)-3-hydroxy-10,13-dimethyl-15-oxo-1,2,3,4,5,6,7,9,11,12,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid;3-Hydroxy-15-oxochol-8(14)-en-24-oic acid
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CAS No:
(4R)-4-[(9R,10S,13R,17R)-3-hydroxy-10,13-dimethyl-15-oxo-1,2,3,4,5,6,7,9,11,12,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid Basic Attributes
388.5 g/mol
388.26135963 g/mol
Computed Properties
Molecular Weight:388.5
XLogP3:4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:388.26135963
Monoisotopic Mass:388.26135963
Topological Polar Surface Area:74.6
Heavy Atom Count:28
Complexity:709
Defined Atom Stereocenter Count:5
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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