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Desmosterol

CAT: 0013-GTR19203279-02Size: 2 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19203279-02Size:2 mg
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Description
Desmosterol
CAS Number
313-04-2
Product Name Alternative
Endogenous Metabolite, EndogenousMetabolite, 24-Dehydrocholesterol, Desmesterol, Desmosterol
Field of Research
Immunology & Inflammation, Metabolism Research
Purity
98.00% (May vary between batches)
Solubility
DMF:10 mg/mL (26 mM) ; H2O:<0.1 mg/mL (Insoluble) ; DMSO:1 mg/mL (2.6 mM)
Smiles
C[C@@]12[C@] ([C@]3 ([C@@] ([C@]4 (C) C (=CC3) C[C@@H] (O) CC4) (CC1) [H]) [H]) (CC[C@@]2 ([C@@H] (CCC=C (C) C) C) [H]) [H]
Molecular Formula
C27H44O
Molecular Weight
384.64
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Desmosterol

Desmosterol is a cholestanoid that is cholesta-5,24-diene substituted by a beta-hydroxy group at position 3. It is an intermediate metabolite obtained during the synthesis of cholesterol. It has a role as a mouse metabolite and a human metabolite. It is a C27-steroid, a 3beta-hydroxy-Delta(5)-steroid, a 3beta-sterol and a cholestanoid.

CAS Number313-04-2
PubChem CID439577
IUPAC Name(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylhept-5-en-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
Molecular FormulaC27H44O
Molecular Weight384.6
XLogP8.3
Topological Polar Surface Area20.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count4
Heavy Atom Count28
Formal Charge0
Complexity641
SMILES
C[C@H](CCC=C(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/C27H44O/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/h7,9,19,21-25,28H,6,8,10-17H2,1-5H3/t19-,21+,22+,23-,24+,25+,26+,27-/m1/s1
InChIKey
AVSXSVCZWQODGV-DPAQBDIFSA-N
Chemical Structure
2D Structure
2D structure of Desmosterol
CAS: 313-04-2
CID: 439577
Formula: C27H44O
MW: 384.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight384.6
XLogP38.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count4
Exact Mass384.339216023
Monoisotopic Mass384.339216023
Topological Polar Surface Area20.2 Ų
Heavy Atom Count28
Formal Charge0
Complexity641
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

Alternative Products

CatalogName
sc-214871ADesmosterol
WZB29867-01Desmosterol-d6
HY-113224RDesmosterol (Standard)
271318-017-Dehydro desmosterol
HY-146823S-01Desmosterol ester-d6

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