1-methylpiperazine;4-(3,7,12-trihydroxy-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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![1-methylpiperazine;4-(3,7,12-trihydroxy-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/20220812/90dde8e859014985990e5c77130313c7.png "1-methylpiperazine;4-(3,7,12-trihydroxy-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")
1-methylpiperazine;4-(3,7,12-trihydroxy-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 -
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CAS No:
6268-27-5
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Formula:
C29H52N2O5
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Chemical Name:
1-methylpiperazine;4-(3,7,12-trihydroxy-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:
6268-27-5;NSC37246;DTXSID90978284;NSC-37246;1-methylpiperazine; 4-(3,7,12-trihydroxy-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;A835791;3,7,12-Trihydroxycholan-24-oic acid--1-methylpiperazine (1/1);4-[10,13-dimethyl-3,7,12-tris(oxidanyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid; 1-methylpiperazine
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CAS No:
1-methylpiperazine;4-(3,7,12-trihydroxy-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
508.7 g/mol
508.38762276 g/mol
37246
Computed Properties
Molecular Weight:508.7
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:4
Exact Mass:508.38762276
Monoisotopic Mass:508.38762276
Topological Polar Surface Area:113
Heavy Atom Count:36
Complexity:685
Undefined Atom Stereocenter Count:11
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes
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