 Home > Encyclopedia > (3S,8S,9S,10R,13S,14S,17R)-17-[(2S)-6-fluoro-3-hydroxy-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol

(3S,8S,9S,10R,13S,14S,17R)-17-[(2S)-6-fluoro-3-hydroxy-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol

(3S,8S,9S,10R,13S,14S,17R)-17-[(2S)-6-fluoro-3-hydroxy-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol structure

CAS No:
76752-41-5
Formula:
C27H45FO2
Chemical Name:
(3S,8S,9S,10R,13S,14S,17R)-17-[(2S)-6-fluoro-3-hydroxy-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
Synonyms:
22-hydroxy-25-fluorocholesterol;SC 32561;SC-32561;76752-41-5;22-Hydroxy-25-fluorocholesterol;SC 32561;SC-32561;SCHEMBL5345017;DTXSID40998073;25-Fluorocholest-5-ene-3,22-diol;(3S,8S,9S,10R,13S,14S,17R)-17-[(2S)-6-fluoro-3-hydroxy-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol;Cholest-5-ene-3,22-diol, 25-fluoro-, (3beta)-

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(3S,8S,9S,10R,13S,14S,17R)-17-[(2S)-6-fluoro-3-hydroxy-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol Basic Attributes

Molecular Weight：

420.6 g/mol

Exact Mass：

420.34035884 g/mol

Characteristics

PSA：

40.5 Å²

Drug Information

MeSH Entry Terms：

22-hydroxy-25-fluorocholesterol

Computed Properties

Molecular Weight:420.6
XLogP3:6.6
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:5
Exact Mass:420.34035884
Monoisotopic Mass:420.34035884
Topological Polar Surface Area:40.5
Heavy Atom Count:30
Complexity:672
Defined Atom Stereocenter Count:8
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of (3S,8S,9S,10R,13S,14S,17R)-17-[(2S)-6-fluoro-3-hydroxy-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol

Basic Attributes
Characteristics
Drug Information
Computed Properties

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