Structure Database (LMSD)
Common Name
Cholesteryl 6Z-pentadecenoate
Systematic Name
cholest-5-en-3β-yl (6Z-pentadecenoate)
Synonyms
3D model of Cholesteryl 6Z-pentadecenoate
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
References
String Representations
InChiKey (Click to copy)
QPHKIDJKVXUGCU-LDSZVABRSA-N
InChi (Click to copy)
InChI=1S/C42H72O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-22-40(43)44-35-27-29-41(5)34(31-35)23-24-36-38-26-25-37(33(4)21-19-20-32(2)3)42(38,6)30-28-39(36)41/h14-15,23,32-33,35-39H,7-13,16-22,24-31H2,1-6H3/b15-14-/t33-,35+,36+,37-,38+,39+,41+,42-/m1/s1
SMILES (Click to copy)
[C@]12(CC=C3C[C@@H](OC(CCCC/C=C\CCCCCCCC)=O)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@@]([H])([C@@](C)([H])CCCC(C)C)CC[C@@]21[H])[H]
Calculated Physicochemical Properties
Heavy Atoms
44
Rings
4
Aromatic Rings
Rotatable Bonds
19
Van der Waals Molecular Volume
695.38
Topological Polar Surface Area
26.30
Hydrogen Bond Donors
Hydrogen Bond Acceptors
2
logP
13.09
Molar Refractivity
189.04
Admin
Created at
24th Jan 2025
Updated at
11th Feb 2025