(4R)-4-[(3R,5R,8S,9S,10R,13R,14S,17R)-3,6-dihydroxy-6,10,13-trimethyl-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid
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![(4R)-4-[(3R,5R,8S,9S,10R,13R,14S,17R)-3,6-dihydroxy-6,10,13-trimethyl-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/277b8d0339394128ba373efc7614c321.png "(4R)-4-[(3R,5R,8S,9S,10R,13R,14S,17R)-3,6-dihydroxy-6,10,13-trimethyl-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid")
(4R)-4-[(3R,5R,8S,9S,10R,13R,14S,17R)-3,6-dihydroxy-6,10,13-trimethyl-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid
structure -
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CAS No:
123202-27-7
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Formula:
C25H42O4
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Chemical Name:
(4R)-4-[(3R,5R,8S,9S,10R,13R,14S,17R)-3,6-dihydroxy-6,10,13-trimethyl-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid
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Synonyms:
3,6-dihydroxy-6-methylcholanoic acid;6-Me-HDCA;6-methylhyodeoxycholic acid;6-MHDC;DTXSID50924404;123202-27-7;3,6-Dihydroxy-6-methylcholan-24-oic acid
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CAS No:
(4R)-4-[(3R,5R,8S,9S,10R,13R,14S,17R)-3,6-dihydroxy-6,10,13-trimethyl-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid Basic Attributes
406.6 g/mol
406.30830982 g/mol
Computed Properties
Molecular Weight:406.6
XLogP3:5.1
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:406.30830982
Monoisotopic Mass:406.30830982
Topological Polar Surface Area:77.8
Heavy Atom Count:29
Complexity:649
Defined Atom Stereocenter Count:9
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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