(8R,9S,13S,14S,17S)-17-(3-aminoprop-1-ynyl)-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol
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(8R,9S,13S,14S,17S)-17-(3-aminoprop-1-ynyl)-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol
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CAS No:
115058-60-1
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Formula:
C21H27NO2
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Chemical Name:
(8R,9S,13S,14S,17S)-17-(3-aminoprop-1-ynyl)-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol
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Synonyms:
17-(3'-amino-1'-propyn-1'-yl)estradiol;estrynamine;Estrynamine;115058-60-1;17-(3'-Amino-1'-propyn-1'-yl)estradiol;Estra-1,3,5(10)-triene-3,17-diol, 17-(3-amino-1-propynyl)-, (17beta)-
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CAS No:
(8R,9S,13S,14S,17S)-17-(3-aminoprop-1-ynyl)-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol Basic Attributes
325.4 g/mol
325.204179104 g/mol
Computed Properties
Molecular Weight:325.4
XLogP3:2.7
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:325.204179104
Monoisotopic Mass:325.204179104
Topological Polar Surface Area:66.5
Heavy Atom Count:24
Complexity:563
Defined Atom Stereocenter Count:5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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