[(8R,9S,13S,14S,17S)-17-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl] 3-phenylpropanoate
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![[(8R,9S,13S,14S,17S)-17-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl] 3-phenylpropanoate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/156543cee81e4c7a9cbe0c4151057144.png "[(8R,9S,13S,14S,17S)-17-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl] 3-phenylpropanoate")
[(8R,9S,13S,14S,17S)-17-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl] 3-phenylpropanoate
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CAS No:
28572-75-0
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Formula:
C27H32O3
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Chemical Name:
[(8R,9S,13S,14S,17S)-17-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl] 3-phenylpropanoate
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Synonyms:
28572-75-0;Estradiol, hydrocinnamate;Estradiol, monohydrocinnamate;SCHEMBL2313094;DTXSID10951251;Hydrocinnamic acid, monoester with estradiol;17-Hydroxyestra-1(10),2,4-trien-3-yl 3-phenylpropanoate
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CAS No:
[(8R,9S,13S,14S,17S)-17-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl] 3-phenylpropanoate Basic Attributes
404.5 g/mol
404.23514488 g/mol
Computed Properties
Molecular Weight:404.5
XLogP3:4.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:5
Exact Mass:404.23514488
Monoisotopic Mass:404.23514488
Topological Polar Surface Area:46.5
Heavy Atom Count:30
Complexity:611
Defined Atom Stereocenter Count:5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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