Structure Database (LMSD)
Common Name
14:1 Cholesterol(d7)
Systematic Name
cholest-5-en-3β-yl(d7) (9Z-tetradecenoate)
Synonyms
- 25,26,26,26,27,27,27-heptadeuteriocholest-5-en-3beta-ol (9Z-tetradecenoate)
- cholesteryl-d7 myristoleate
3D model of 14:1 Cholesterol(d7)
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
synthetic construct
(#32630)
Synthetic deuterated standard
String Representations
InChiKey (Click to copy)
LAMGDJMPDNVWTB-MHKUVELWSA-N
InChi (Click to copy)
InChI=1S/C41H70O2/c1-7-8-9-10-11-12-13-14-15-16-17-21-39(42)43-34-26-28-40(5)33(30-34)22-23-35-37-25-24-36(32(4)20-18-19-31(2)3)41(37,6)29-27-38(35)40/h10-11,22,31-32,34-38H,7-9,12-21,23-30H2,1-6H3/b11-10-/t32-,34+,35+,36-,37+,38+,40+,41-/m1/s1/i2D3,3D3,31D
SMILES (Click to copy)
[C@]12(CC=C3C[C@@H](OC(CCCCCCC/C=C\CCCC)=O)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@@]([H])([C@@](C)([H])CCCC(C([2H])([2H])[2H])(C([2H])([2H])[2H])[2H])CC[C@@]21[H])[H]
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
43
Rings
4
Aromatic Rings
Rotatable Bonds
18
Van der Waals Molecular Volume
678.08
Topological Polar Surface Area
26.30
Hydrogen Bond Donors
Hydrogen Bond Acceptors
2
logP
12.70
Molar Refractivity
184.42
Admin
Created at
26th Mar 2025
Updated at
26th Mar 2025