[(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] thiocyanate
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[(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] thiocyanate
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CAS No:
1253-98-1
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Formula:
C28H45NS
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Chemical Name:
[(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] thiocyanate
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Synonyms:
(3|A)-cholest-5-en-3-yl thiocyanate;NSC18189;3beta-Cholesteryl thiocyanate;DTXSID10280715;ZINC4683771;NSC-18189;1253-98-1
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CAS No:
[(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] thiocyanate Basic Attributes
427.7 g/mol
427.32727161 g/mol
18189
DTXSID10280715
Computed Properties
Molecular Weight:427.7
XLogP3:9.9
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:6
Exact Mass:427.32727161
Monoisotopic Mass:427.32727161
Topological Polar Surface Area:49.1
Heavy Atom Count:30
Complexity:701
Defined Atom Stereocenter Count:8
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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