Home Other Building Blocks Cholest-5-en-3-ol (3β)-, docosanoate

Cholest-5-en-3-ol (3β)-, docosanoate

CAS No.:
61510-09-6
Catalog Number:
AG003OV8
Molecular Formula:
C49H88O2
Molecular Weight:
709.2218
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
25mg
≥98%
1 week
United States
$91
- +
50mg
≥98%
1 week
United States
$123
- +
100mg
≥98%
1 week
United States
$182
- +
250mg
≥98%
1 week
United States
$353
- +
Product Description
Catalog Number:
AG003OV8
Chemical Name:
Cholest-5-en-3-ol (3β)-, docosanoate
CAS Number:
61510-09-6
Molecular Formula:
C49H88O2
Molecular Weight:
709.2218
MDL Number:
MFCD00056440
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] docosanoate
InChI:
InChI=1S/C49H88O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-29-47(50)51-42-34-36-48(5)41(38-42)30-31-43-45-33-32-44(40(4)28-26-27-39(2)3)49(45,6)37-35-46(43)48/h30,39-40,42-46H,7-29,31-38H2,1-6H3/t40-,42+,43+,44-,45+,46+,48+,49-/m1/s1
InChI Key:
WBOQXYUYHINMOC-FTAWAYKBSA-N
SMILES:
CCCCCCCCCCCCCCCCCCCCCC(=O)O[C@H]1CC[C@]2(C(=CC[C@@H]3[C@@H]2CC[C@]2([C@H]3CC[C@@H]2[C@@H](CCCC(C)C)C)C)C1)C
UNII:
H15EQJ092L
Properties
Complexity:
996  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
8  
Defined Bond Stereocenter Count:
0
Exact Mass:
708.678g/mol
Formal Charge:
0
Heavy Atom Count:
51  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
709.241g/mol
Monoisotopic Mass:
708.678g/mol
Rotatable Bond Count:
27  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
19.7  
Properties