Structure Database (LMSD)
Common Name
Abietic acid
Systematic Name
Synonyms
3D model of Abietic 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
String Representations
InChiKey (Click to copy)
RSWGJHLUYNHPMX-ONCXSQPRSA-N
InChi (Click to copy)
InChI=1S/C20H30O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h7,12-13,16-17H,5-6,8-11H2,1-4H3,(H,21,22)/t16-,17+,19+,20+/m0/s1
SMILES (Click to copy)
[C@@]12([H])CC=C3C=C(CC[C@]3([H])[C@@]1(C)CCC[C@@]2(C)C(=O)O)C(C)C
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
22
Rings
3
Aromatic Rings
0
Rotatable Bonds
2
Van der Waals Molecular Volume
327.14
Topological Polar Surface Area
37.30
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
2
logP
5.21
Molar Refractivity
89.54
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Created at
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Updated at
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