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Cholesteryl undecanoate

CAT: 0804-HY-166268-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-166268-01Size:10 mg
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Description
Cholesteryl undecanoate is an ester product.
CAS Number
24385-24-8
UNSPSC
12352211
Target
Others
Type
Natural Products
Related Pathways
Others
Applications
Metabolism-protein/nucleotide metabolism
Field of Research
Metabolic Disease
Assay Protocol
https://www.medchemexpress.com/cholesteryl-undecanoate.html
Purity
99.0
Smiles
C[C@@]12[C@]3([H])[C@](CC=C1C[C@H](CC2)OC(CCCCCCCCCC)=O)([H])[C@@]4([H])[C@](CC3)([C@@](CC4)([H])[C@H](C)CCCC(C)C)C
Molecular Formula
C38H66O2
Molecular Weight
554.93
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

Cholesteryl undecanoate
CAS Number24385-24-8
PubChem CID45045340
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] undecanoate
Molecular FormulaC38H66O2
Molecular Weight554.9
XLogP13.7
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count16
Heavy Atom Count40
Formal Charge0
Complexity827
SMILES
CCCCCCCCCCC(=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/C38H66O2/c1-7-8-9-10-11-12-13-14-18-36(39)40-31-23-25-37(5)30(27-31)19-20-32-34-22-21-33(29(4)17-15-16-28(2)3)38(34,6)26-24-35(32)37/h19,28-29,31-35H,7-18,20-27H2,1-6H3/t29-,31+,32+,33-,34+,35+,37+,38-/m1/s1
InChIKey
FKKYQVGVWVTATD-HMVYLTCSSA-N
Chemical Structure
2D Structure
2D structure of Cholesteryl undecanoate
CAS: 24385-24-8
CID: 45045340
Formula: C38H66O2
MW: 554.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight554.9
XLogP313.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count16
Exact Mass554.50628134
Monoisotopic Mass554.50628134
Topological Polar Surface Area26.3 Ų
Heavy Atom Count40
Formal Charge0
Complexity827
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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