2-(17-hydroxy-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl)ethyl 4-methylbenzenesulfonate
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![2-(17-hydroxy-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl)ethyl 4-methylbenzenesulfonate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/081d74b7f4684071b6fda51950b26a85.png "2-(17-hydroxy-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl)ethyl 4-methylbenzenesulfonate")
2-(17-hydroxy-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl)ethyl 4-methylbenzenesulfonate
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CAS No:
16397-00-5
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Formula:
C28H36O5S
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Chemical Name:
2-(17-hydroxy-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl)ethyl 4-methylbenzenesulfonate
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Synonyms:
NSC250654;16397-00-5;DTXSID70312142;NSC-250654;(17.ALPHA.)-3-METHOXY-19-NORPREGNA-1,5(10)-TRIENE-17,21-DIOL, 21-(4-METHYLBENZENESULFONATE)
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CAS No:
2-(17-hydroxy-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl)ethyl 4-methylbenzenesulfonate Basic Attributes
484.6 g/mol
484.22834542 g/mol
250654
DTXSID70312142
Computed Properties
Molecular Weight:484.6
XLogP3:5.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:6
Exact Mass:484.22834542
Monoisotopic Mass:484.22834542
Topological Polar Surface Area:81.2
Heavy Atom Count:34
Complexity:815
Undefined Atom Stereocenter Count:5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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