Structure Database (LMSD)
Common Name
Maingayic acid
Systematic Name
Synonyms
3D model of Maingayic acid
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
Category
Main Class
Sub Class
Level 4 Class
References
String Representations
InChiKey (Click to copy)
AVVOXUZRTCRDLA-SIKIZQCASA-N
InChi (Click to copy)
InChI=1S/C20H28O3/c1-14-7-11-20(18(21)22)15(2)5-4-6-17(20)19(14,3)10-8-16-9-12-23-13-16/h5,9,12-14,17H,4,6-8,10-11H2,1-3H3,(H,21,22)/t14-,17-,19+,20-/m1/s1
SMILES (Click to copy)
C1C[C@]2([H])[C@@](C)(CCC3C=COC=3)[C@H](C)CC[C@@]2(C(O)=O)C(C)=C1
Other Databases
PubChem CID
Calculated Physicochemical Properties
Heavy Atoms
23
Rings
3
Aromatic Rings
1
Rotatable Bonds
4
Van der Waals Molecular Volume
322.39
Topological Polar Surface Area
50.44
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
3
logP
5.08
Molar Refractivity
90.08
Admin
Created at
6th Mar 2025
Updated at
6th Mar 2025