(8S,9R,13S,14S,17S)-11-(aziridin-1-ylmethyl)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol
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![(8S,9R,13S,14S,17S)-11-(aziridin-1-ylmethyl)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/34aa52356cbb40c486151f3b4ba610d9.png "(8S,9R,13S,14S,17S)-11-(aziridin-1-ylmethyl)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol")
(8S,9R,13S,14S,17S)-11-(aziridin-1-ylmethyl)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol
structure -
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CAS No:
76583-06-7
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Formula:
C21H29NO2
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Chemical Name:
(8S,9R,13S,14S,17S)-11-(aziridin-1-ylmethyl)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol
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Synonyms:
11 beta-(1-aziridinylmethyl)estradiol;Org 5895;Org-5895;76583-06-7;Org 5895;Org-5895;DTXSID00997921;11beta-(1-Aziridinylmethyl)estradiol;11 beta-(1-aziridinylmethyl)estradiol;11-[(Aziridin-1-yl)methyl]estra-1(10),2,4-triene-3,17-diol;11-(1-Aziridinylmethyl)estra-1,3,5(10)-triene-3,17-diol (17beta)-;Estra-1,3,5(10)-triene-3,17-diol, 11-(1-aziridinylmethyl)-, (17beta)-
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CAS No:
(8S,9R,13S,14S,17S)-11-(aziridin-1-ylmethyl)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol Basic Attributes
327.5 g/mol
327.219829168 g/mol
Computed Properties
Molecular Weight:327.5
XLogP3:3.5
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:327.219829168
Monoisotopic Mass:327.219829168
Topological Polar Surface Area:43.5
Heavy Atom Count:24
Complexity:492
Defined Atom Stereocenter Count:5
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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