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Cholesterol

CAT: 1489-C8280-03Size: 1 KgDry Ice: NoHazardous: No
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CAS Number
57-88-5
Purity
≥95%

Chemical Information

Cholesterol

Cholesterol is a cholestanoid consisting of cholestane having a double bond at the 5,6-position as well as a 3beta-hydroxy group. It has a role as a mouse metabolite, a human metabolite, a Daphnia galeata metabolite and an algal metabolite. It is a C27-steroid, a 3beta-hydroxy-Delta(5)-steroid, a 3beta-sterol and a cholestanoid.

CAS Number57-88-5
PubChem CID5997
IUPAC 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-ol
Molecular FormulaC27H46O
Molecular Weight386.7
XLogP8.7
Topological Polar Surface Area20.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count5
Heavy Atom Count28
Formal Charge0
Complexity591
SMILES
C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C
InChI
InChI=1S/C27H46O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9,18-19,21-25,28H,6-8,10-17H2,1-5H3/t19-,21+,22+,23-,24+,25+,26+,27-/m1/s1
InChIKey
HVYWMOMLDIMFJA-DPAQBDIFSA-N
Chemical Structure
2D Structure
2D structure of Cholesterol
CAS: 57-88-5
CID: 5997
Formula: C27H46O
MW: 386.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight386.7
XLogP38.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count5
Exact Mass386.354866087
Monoisotopic Mass386.354866087
Topological Polar Surface Area20.2 Ų
Heavy Atom Count28
Formal Charge0
Complexity591
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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