4-(3-acetyloxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid
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![4-(3-acetyloxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/03a6b116ce294666be470b8f30f19dfb.png "4-(3-acetyloxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid")
4-(3-acetyloxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid
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CAS No:
19462-13-6
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Formula:
C26H40O4
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Chemical Name:
4-(3-acetyloxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid
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Synonyms:
3-(Acetyloxy)chol-5-en-24-oic acid;19462-13-6;4-(3-acetyloxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid;NSC226154;DTXSID70310360;3-ACETOXY-5-CHOLENIC ACID;AKOS024434808;MCULE-9491535728;NSC-226154;3-BETA-ACETOXYCHOL-5-EN-24-OIC ACID
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CAS No:
4-(3-acetyloxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid Basic Attributes
416.6 g/mol
416.29265975 g/mol
226154
DTXSID70310360
Computed Properties
Molecular Weight:416.6
XLogP3:6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:6
Exact Mass:416.29265975
Monoisotopic Mass:416.29265975
Topological Polar Surface Area:63.6
Heavy Atom Count:30
Complexity:727
Undefined Atom Stereocenter Count:8
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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