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Cholesteryl n-valerate

CAT: 0804-HY-W127585Size: 1 EachDry Ice: NoHazardous: No
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Description
Cholesteryl n-valerate is a biochemical reagent that can be used as a biological material or organic compound for life science related research.
CAS Number
7726-03-6
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/cholesteryl-n-valerate.html
Solubility
10 mM in DMSO
Smiles
CCCCC(O[C@H]1CC[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@H]([C@H](C)CCCC(C)C)CC[C@@]4([H])[C@]3([H])CC=C2C1)=O
Molecular Formula
C32H54O2
Molecular Weight
470.77
Precautions
P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501
Shipping Conditions
Room temperature
Scientific Category
Biochemical Assay Reagents
Clinical Information
No Development Reported

Chemical Information

Cholesteryl valerate
CAS Number7726-03-6
PubChem CID111329
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-yl] pentanoate
Molecular FormulaC32H54O2
Molecular Weight470.8
XLogP10.5
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count10
Heavy Atom Count34
Formal Charge0
Complexity737
SMILES
CCCCC(=O)O[C@H]1CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3CC=C2C1)CC[C@@H]4[C@H](C)CCCC(C)C)C)C
InChI
InChI=1S/C32H54O2/c1-7-8-12-30(33)34-25-17-19-31(5)24(21-25)13-14-26-28-16-15-27(23(4)11-9-10-22(2)3)32(28,6)20-18-29(26)31/h13,22-23,25-29H,7-12,14-21H2,1-6H3/t23-,25+,26+,27-,28+,29+,31+,32-/m1/s1
InChIKey
RWTQCZGAMKTBRV-PTHRTHQKSA-N
Chemical Structure
2D Structure
2D structure of Cholesteryl valerate
CAS: 7726-03-6
CID: 111329
Formula: C32H54O2
MW: 470.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight470.8
XLogP310.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count10
Exact Mass470.412380961
Monoisotopic Mass470.412380961
Topological Polar Surface Area26.3 Ų
Heavy Atom Count34
Formal Charge0
Complexity737
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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