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3β,5α,6β-Trihydroxycholestane

CAT: 0804-HY-W010934-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-W010934-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
3β,5α,6β-Trihydroxycholestane is a steroid that occurs naturally in the body and is also found in certain foods. It belongs to a class of compounds known as cholestanes, which are closely related to the better known cholesterol. This particular compound is formed from cholesterol through a series of enzymatic reactions in the liver and other organs. It has been studied for its potential health benefits, including its ability to reduce inflammation and oxidative stress in the body. Some research suggests that it may also play a role in regulating blood sugar levels and improving insulin sensitivity. Despite these potential benefits, 3β,5α,6β-Trihydroxycholestane is not widely used as a supplement or medicine due to its relatively low content, focus on natural resources and limited research. However, researchers continue to investigate its potential uses and effects on human health.
CAS Number
1253-84-5
UNSPSC
12352200
Hazard Statement
H302, H315, H319, H335
Target
Biochemical Assay Reagents
Type
Biochemical Assay Reagents
Related Pathways
Others
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/3β-5α-6β-trihydroxycholestane.html
Purity
99.81
Solubility
DMSO : 100 mg/mL (ultrasonic)
Smiles
O[C@H]1CC[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@H]([C@@H](CCCC(C)C)C)CC[C@@]4([H])[C@]3([H])C[C@@H](O)[C@@]2(O)C1
Molecular Formula
C27H48O3
Molecular Weight
420.67
Precautions
H302, H315, H319, H335
Shipping Conditions
Blue Ice
Storage Conditions
-20°C, 3 years (Powder)
Scientific Category
Biochemical Assay Reagents
Clinical Information
No Development Reported

Chemical Information

3beta,5alpha,6beta-Trihydroxycholestane

5alpha-cholestane-3beta,5,6beta-triol is a 3beta-hydroxy steroid, a 6beta-hydroxy steroid and a 5alpha-hydroxy steroid. It derives from a hydride of a 5alpha-cholestane.

CAS Number1253-84-5
PubChem CID91498
IUPAC Name(3S,5R,6R,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,5,6-triol
Molecular FormulaC27H48O3
Molecular Weight420.7
XLogP7
Topological Polar Surface Area60.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Heavy Atom Count30
Formal Charge0
Complexity619
SMILES
C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C[C@H]([C@@]4([C@@]3(CC[C@@H](C4)O)C)O)O)C
InChI
InChI=1S/C27H48O3/c1-17(2)7-6-8-18(3)21-9-10-22-20-15-24(29)27(30)16-19(28)11-14-26(27,5)23(20)12-13-25(21,22)4/h17-24,28-30H,6-16H2,1-5H3/t18-,19+,20+,21-,22+,23+,24-,25-,26-,27+/m1/s1
InChIKey
YMMFNKXZULYSOQ-RUXQDQFYSA-N
Chemical Structure
2D Structure
2D structure of 3beta,5alpha,6beta-Trihydroxycholestane
CAS: 1253-84-5
CID: 91498
Formula: C27H48O3
MW: 420.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight420.7
XLogP37
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Exact Mass420.36034539
Monoisotopic Mass420.36034539
Topological Polar Surface Area60.7 Ų
Heavy Atom Count30
Formal Charge0
Complexity619
Isotope Atom Count0
Defined Atom Stereocenter Count10
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
sc-4746303β,5α,6β-Trihydroxycholestane
AR-C02596-013?,5?,6?-Trihydroxycholestane
0223663β,5α,6β-Trihydroxycholestane-d7
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OR10371783ß,5a,6ß-Trihydroxycholestane
MBS6068493-013beta,5alpha,6beta-Trihydroxycholestane
TRC-T795100-100MG3b,5a,6b-Trihydroxycholestane
TRC-T795102-10MG3Beta,5Alpha,6Beta-Trihydroxycholestane-d7
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