Structure Database (LMSD)
Common Name
20:3 Cholesterol(d7)
Systematic Name
cholest-5-en-3β-yl(d7) (8Z,11Z,14Z-eicosatrienoate)
Synonyms
- 25,26,26,26,27,27,27-heptadeuteriocholest-5-en-3beta-ol (9Z-hexadecenoate)
- cholesteryl-d7 eicosa-8Z,11Z,14Z-trienoate
3D model of 20:3 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)
MLPRJPSMAFZPLA-RGISREMOSA-N
InChi (Click to copy)
InChI=1S/C47H78O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-27-45(48)49-40-32-34-46(5)39(36-40)28-29-41-43-31-30-42(38(4)26-24-25-37(2)3)47(43,6)35-33-44(41)46/h11-12,14-15,17-18,28,37-38,40-44H,7-10,13,16,19-27,29-36H2,1-6H3/b12-11-,15-14-,18-17-/t38-,40+,41+,42-,43+,44+,46+,47-/m1/s1/i2D3,3D3,37D
SMILES (Click to copy)
[C@]12(CC=C3C[C@@H](OC(CCCCCC/C=C\C/C=C\C/C=C\CCCCC)=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
Avanti ID
Calculated Physicochemical Properties
Heavy Atoms
49
Rings
4
Aromatic Rings
Rotatable Bonds
22
Van der Waals Molecular Volume
776.60
Topological Polar Surface Area
26.30
Hydrogen Bond Donors
Hydrogen Bond Acceptors
2
logP
14.60
Molar Refractivity
211.94
Admin
Created at
26th Mar 2025
Updated at
26th Mar 2025