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7-Dehydrocholesterol (Standard)

CAT: 0804-HY-113279R-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-113279R-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
7-Dehydrocholesterol (Standard) is the analytical standard of 7-Dehydrocholesterol. This product is intended for research and analytical applications.7-Dehydrocholesterol is biosynthetic precursor of cholesterol and vitamin D3.
CAS Number
434-16-2
Product Name Alternative
TNF Protease Inhibitor 2
UNSPSC
12352211
Target
Endogenous Metabolite; Reference Standards
Type
Reference Standards
Related Pathways
Metabolic Enzyme/Protease; Others
Applications
Metabolism-protein/nucleotide metabolism
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/7-dehydrocholesterol-standard.html
Purity
98.38
Solubility
10 mM in DMSO
Smiles
CC(C)CCC[C@@H](C)[C@H]1CC[C@@]2([H])C3=CC=C4C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C
Molecular Formula
C27H44O
Molecular Weight
384.64
References & Citations
[1]Xu L, et al. Oxysterols from free radical chain oxidation of 7-dehydrocholesterol: product and mechanistic studies. J Am Chem Soc. 2010 Feb 24;132 (7) :2222-32.
Shipping Conditions
Blue Ice
Storage Conditions
-20°C, sealed storage, away from light and moisture, under nitrogen
Scientific Category
Reference Standards
Clinical Information
No Development Reported

Chemical Information

7-Dehydrocholesterol

Cholesta-5,7-dien-3beta-ol is a Delta(5),Delta(7)-sterol, a 3beta-hydroxy-Delta(5)-steroid, a 3beta-sterol and a cholestanoid. It has a role as a mouse metabolite and a human metabolite.

CAS Number434-16-2
PubChem CID439423
IUPAC Name(3S,9S,10R,13R,14R,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol
Molecular FormulaC27H44O
Molecular Weight384.6
XLogP8
Topological Polar Surface Area20.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count5
Heavy Atom Count28
Formal Charge0
Complexity643
SMILES
C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3C2=CC=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/h9-10,18-19,21,23-25,28H,6-8,11-17H2,1-5H3/t19-,21+,23-,24+,25+,26+,27-/m1/s1
InChIKey
UCTLRSWJYQTBFZ-DDPQNLDTSA-N
Chemical Structure
2D Structure
2D structure of 7-Dehydrocholesterol
CAS: 434-16-2
CID: 439423
Formula: C27H44O
MW: 384.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight384.6
XLogP38
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count5
Exact Mass384.339216023
Monoisotopic Mass384.339216023
Topological Polar Surface Area20.2 Ų
Heavy Atom Count28
Formal Charge0
Complexity643
Isotope Atom Count0
Defined Atom Stereocenter Count7
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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