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Cerevisterol

CAT: 0013-GTR19265860-04Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19265860-04Size:25 mg
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Description
Cerevisterol is a cytotoxic steroid, can inhibit the activity of DNA polymerase alpha. It can stimulate NGF-mediated neurite outgrowth on PC12 cells. Cerevisterol acts as a natural agent for treating inflammatory diseases by targeting an MAPK, NF-κB, AP-1, and Nrf2-mediated HO-1 signaling cascade.
CAS Number
516-37-0
Field of Research
Cell Biology, Molecular Biology
Purity
98.30% (May vary between batches)
Smiles
CC (C) [C@@H] (C) /C=C/[C@@H] (C) [C@@H] (CC1) [C@@] (C) (CC[C@@H]2[C@@] (C) (CC[C@@H] (C3) O) [C@@]33O) [C@@H]1C2=C[C@H]3O
Molecular Formula
C28H46O3
Molecular Weight
430.66
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Cerevisterol

Cerevisterol is an ergostanoid that is (22E)-ergosta-7,22-diene substituted by hydroxy groups at positions 3, 5 and 6 (the 3beta,5alpha,6beta stereoisomer). It has been isolated from the fungus, Xylaria species. It has a role as an Aspergillus metabolite. It is a 3beta-hydroxy steroid, a 6beta-hydroxy steroid, a 5alpha-hydroxy steroid and an ergostanoid.

CAS Number516-37-0
PubChem CID10181133
IUPAC Name(3S,5R,6R,9S,10R,13R,14R,17R)-17-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-1,2,3,4,6,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-3,5,6-triol
Molecular FormulaC28H46O3
Molecular Weight430.7
XLogP5.6
Topological Polar Surface Area60.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count31
Formal Charge0
Complexity741
SMILES
C[C@H](/C=C/[C@H](C)C(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3C2=C[C@H]([C@@]4([C@@]3(CC[C@@H](C4)O)C)O)O)C
InChI
InChI=1S/C28H46O3/c1-17(2)18(3)7-8-19(4)22-9-10-23-21-15-25(30)28(31)16-20(29)11-14-27(28,6)24(21)12-13-26(22,23)5/h7-8,15,17-20,22-25,29-31H,9-14,16H2,1-6H3/b8-7+/t18-,19+,20-,22+,23-,24-,25+,26+,27+,28-/m0/s1
InChIKey
ARXHRTZAVQOQEU-BRVLHLJYSA-N
Chemical Structure
2D Structure
2D structure of Cerevisterol
CAS: 516-37-0
CID: 10181133
Formula: C28H46O3
MW: 430.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight430.7
XLogP35.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass430.34469533
Monoisotopic Mass430.34469533
Topological Polar Surface Area60.7 Ų
Heavy Atom Count31
Formal Charge0
Complexity741
Isotope Atom Count0
Defined Atom Stereocenter Count10
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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CatalogName
FC42622-01Cerevisterol

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