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(5Alpha) -Cholestane

CAT: 1299-RM-C080101-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-C080101-02Size:25 mg
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CAS Number
481-21-0
Synonyms
(5R,8R,9S,10S,13R,14S,17R) -10,13-dimethyl-17- ((R) -6-methylheptan-2-yl) hexadecahydro-1H-cyclopenta[a]phenanthrene
Molecular Formula
C27H48
Molecular Weight
372.67
Target Alternative Name
Cholestane
Product Name Synonym
(5R,8R,9S,10S,13R,14S,17R) -10,13-dimethyl-17- ((R) -6-methylheptan-2-yl) hexadecahydro-1H-cyclopenta[a]phenanthrene

Chemical Information

5alpha-Cholestane

5alpha-cholestane is the 5alpha-stereoisomer of cholestane.

CAS Number481-21-0
PubChem CID2723895
IUPAC Name(5R,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene
Molecular FormulaC27H48
Molecular Weight372.7
XLogP11.1
Topological Polar Surface Area0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count5
Heavy Atom Count27
Formal Charge0
Complexity506
SMILES
C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(CCCC4)C)C
InChI
InChI=1S/C27H48/c1-19(2)9-8-10-20(3)23-14-15-24-22-13-12-21-11-6-7-17-26(21,4)25(22)16-18-27(23,24)5/h19-25H,6-18H2,1-5H3/t20-,21-,22+,23-,24+,25+,26+,27-/m1/s1
InChIKey
XIIAYQZJNBULGD-XWLABEFZSA-N
Chemical Structure
2D Structure
2D structure of 5alpha-Cholestane
CAS: 481-21-0
CID: 2723895
Formula: C27H48
MW: 372.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight372.7
XLogP311.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count5
Exact Mass372.375601531
Monoisotopic Mass372.375601531
Topological Polar Surface Area0 Ų
Heavy Atom Count27
Formal Charge0
Complexity506
Isotope Atom Count0
Defined Atom Stereocenter Count8
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
MBS3611255-015alpha-Cholestane
FC660095alpha-Cholestane-3,7-dione
TRC-C431745-1GCholestane-3Beta,5Alpha,6Alpha-triol
TRC-C431747-0.5MGCholestane-3Beta,5Alpha,6Alpha-triol-d7
TRC-D535525-25MG3Beta-DOXYL-5alpha-cholestane, Free Radical
TRC-B682415-10MG5-Bromo-5Alpha-cholestane-3,6-diol 3-Acetate
TRC-C431703-5MG5Alpha-Cholestane-2,2,3,3,4,4-d6
FC20419-01α-Cholestane
268567-01A-Cholestane
HY-132649S-01α-Cholestane-d4

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