[(8R,9S,13S,14S,17S)-17-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl] 2-acetyloxybenzoate
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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] 2-acetyloxybenzoate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/b0306875e3f0415f9853a9cf4ebf4fc6.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] 2-acetyloxybenzoate")
[(8R,9S,13S,14S,17S)-17-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl] 2-acetyloxybenzoate
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CAS No:
111111-98-9
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Formula:
C27H30O5
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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] 2-acetyloxybenzoate
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Synonyms:
UNII-J9B90ASJ1Y;J9B90ASJ1Y;111111-98-9;beta-Estradiol 3-acetylsalicylate;beta-Estradiol-3-acetylsalicylate;Estradiol acetylsalicylate;DTXSID30912001;17-Hydroxyestra-1(10),2,4-trien-3-yl 2-(acetyloxy)benzoate;Estra-1,3,5(10)-triene-3,17-diol (17beta)-, 3-(2-(acetyloxy)benzoate)
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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] 2-acetyloxybenzoate Basic Attributes
434.5 g/mol
434.20932405 g/mol
J9B90ASJ1Y
Computed Properties
Molecular Weight:434.5
XLogP3:4.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:5
Exact Mass:434.20932405
Monoisotopic Mass:434.20932405
Topological Polar Surface Area:72.8
Heavy Atom Count:32
Complexity:721
Defined Atom Stereocenter Count:5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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