4-[3-(3-carboxypropanoyloxy)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid
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![4-[3-(3-carboxypropanoyloxy)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/72a3c60c16804c1485f08ce141a34270.png "4-[3-(3-carboxypropanoyloxy)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid")
4-[3-(3-carboxypropanoyloxy)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid
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CAS No:
87826-99-1
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Formula:
C28H44O6
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Chemical Name:
4-[3-(3-carboxypropanoyloxy)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid
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Synonyms:
87826-99-1;3-[(3-carboxypropanoyl)oxy]cholan-24-oic acid;NSC117606;DTXSID70297728;CID 272885;NSC-117606;4-[3-(3-carboxypropanoyloxy)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid
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CAS No:
4-[3-(3-carboxypropanoyloxy)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid Basic Attributes
476.6 g/mol
476.31378912 g/mol
117606
DTXSID70297728
Computed Properties
Molecular Weight:476.6
XLogP3:6.3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:9
Exact Mass:476.31378912
Monoisotopic Mass:476.31378912
Topological Polar Surface Area:101
Heavy Atom Count:34
Complexity:794
Undefined Atom Stereocenter Count:9
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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