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

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

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

CAS No:
153463-21-9
Formula:
C27H39F7O
Chemical Name:
(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6,7,7,7-tetrafluoro-6-(trifluoromethyl)heptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
Synonyms:
25,26,26,26,27,27,27-heptafluorocholesterol;25-HFCL;153463-21-9;25,26,26,26,27,27,27-Heptafluorocholesterol;(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6,7,7,7-tetrafluoro-6-(trifluoromethyl)heptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol;25-Hfcl;25,26,26,26,27,27,27-Heptafluorocholest-5-en-3-ol (3beta)-;SCHEMBL12436822;DTXSID80897495;(3I(2))-25,26,26,26,27,27,27-Heptafluoro-cholest-5-en-3-ol;Cholest-5-en-3-ol, 25,26,26,26,27,27,27-heptafluoro-, (3beta)-

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

Molecular Weight：

512.6 g/mol

Exact Mass：

512.28891300 g/mol

Characteristics

PSA：

20.2 Å²

Drug Information

MeSH Entry Terms：

25,26,26,26,27,27,27-heptafluorocholesterol

(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6,7,7,7-tetrafluoro-6-(trifluoromethyl)heptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol Use and Manufacturing

Use Classification：

PFAS (per- and polyfluoroalkyl substances) -> OECD Category

Computed Properties

Molecular Weight:512.6
XLogP3:9.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:5
Exact Mass:512.28891300
Monoisotopic Mass:512.28891300
Topological Polar Surface Area:20.2
Heavy Atom Count:35
Complexity:803
Defined Atom Stereocenter Count:8
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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CAS No.: 153463-21-9

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

Basic Attributes
Characteristics
Drug Information
Use and Manufacturing
Computed Properties
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