Structure Database (LMSD)
Common Name
Lophachinin D
Systematic Name
1S,hydroxy, 7-oxo-dehydroabietic acid
Synonyms
3D model of Lophachinin D
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)
QMDOGLPMINAFHW-RAUXBKROSA-N
InChi (Click to copy)
InChI=1S/C20H26O4/c1-11(2)12-5-6-14-13(9-12)15(21)10-16-19(3,18(23)24)8-7-17(22)20(14,16)4/h5-6,9,11,16-17,22H,7-8,10H2,1-4H3,(H,23,24)/t16-,17-,19+,20+/m0/s1
SMILES (Click to copy)
[C@@]12([H])CC(=O)C3C=C(C=CC=3[C@@]1(C)[C@@H](O)CC[C@@]2(C)C(=O)O)C(C)C
Other Databases
PubChem CID
Calculated Physicochemical Properties
Heavy Atoms
24
Rings
3
Aromatic Rings
1
Rotatable Bonds
2
Van der Waals Molecular Volume
328.54
Topological Polar Surface Area
74.60
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
4
logP
3.80
Molar Refractivity
91.82
Admin
Created at
21st Aug 2020
Updated at
21st Aug 2020