Structure Database (LMSD)
Common Name
Lophachinin C
Systematic Name
1S,7R-dihydroxy-dehydroabietic acid
Synonyms
3D model of Lophachinin C
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)
VBGYFFVTLRYZMI-HDHSKVTNSA-N
InChi (Click to copy)
InChI=1S/C20H28O4/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/h5-6,9,11,15-17,21-22H,7-8,10H2,1-4H3,(H,23,24)/t15-,16+,17+,19-,20-/m1/s1
SMILES (Click to copy)
[C@@]12([H])C[C@@H](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
331.18
Topological Polar Surface Area
77.76
Hydrogen Bond Donors
3
Hydrogen Bond Acceptors
4
logP
3.65
Molar Refractivity
92.45
Admin
Created at
21st Aug 2020
Updated at
21st Aug 2020