Structure Database (LMSD)
Common Name
16:1 Cholesterol(d7)
Systematic Name
cholest-5-en-3β-yl(d7) (9Z-hexadecenoate)
Synonyms
- 25,26,26,26,27,27,27-heptadeuteriocholest-5-en-3beta-ol (9Z-hexadecenoate)
- cholesteryl-d7 palmitoleate
3D model of 16:1 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)
HODJWNWCVNUPAQ-QJLUEIAISA-N
InChi (Click to copy)
InChI=1S/C43H74O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-23-41(44)45-36-28-30-42(5)35(32-36)24-25-37-39-27-26-38(34(4)22-20-21-33(2)3)43(39,6)31-29-40(37)42/h12-13,24,33-34,36-40H,7-11,14-23,25-32H2,1-6H3/b13-12-/t34-,36+,37+,38-,39+,40+,42+,43-/m1/s1/i2D3,3D3,33D
SMILES (Click to copy)
[C@]12(CC=C3C[C@@H](OC(CCCCCCC/C=C\CCCCCC)=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
45
Rings
4
Aromatic Rings
Rotatable Bonds
20
Van der Waals Molecular Volume
712.68
Topological Polar Surface Area
26.30
Hydrogen Bond Donors
Hydrogen Bond Acceptors
2
logP
13.48
Molar Refractivity
193.66
Admin
Created at
26th Mar 2025
Updated at
26th Mar 2025