(8S,9S,10R,13R,14S,17R)-4-chloro-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
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(8S,9S,10R,13R,14S,17R)-4-chloro-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
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CAS No:
2066-11-7
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Formula:
C27H43ClO
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Chemical Name:
(8S,9S,10R,13R,14S,17R)-4-chloro-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
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Synonyms:
2066-11-7;4-Chlorocholest-4-en-3-one;NSC38301;4-Chloro-4-cholesten-3-one;ZINC4783467;NSC-38301
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CAS No:
(8S,9S,10R,13R,14S,17R)-4-chloro-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one Basic Attributes
419.1 g/mol
418.3002437 g/mol
38301
Computed Properties
Molecular Weight:419.1
XLogP3:9.3
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:5
Exact Mass:418.3002437
Monoisotopic Mass:418.3002437
Topological Polar Surface Area:17.1
Heavy Atom Count:29
Complexity:678
Defined Atom Stereocenter Count:7
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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