Structure Database (LMSD)
Common Name
Cardanolide skeleton
Systematic Name
Synonyms
LM ID
LMST01120000
Status
Active
No other lipid differing only in stereochemistry/bond geometry found
3D model of Cardanolide skeleton
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
String Representations
InChiKey (Click to copy)
AQARKTASOBROAE-OCYOQFCJSA-N
InChi (Click to copy)
InChI=1S/C23H36O2/c1-22-11-4-3-5-16(22)6-7-17-19-9-8-18(15-13-21(24)25-14-15)23(19,2)12-10-20(17)22/h15-20H,3-14H2,1-2H3/t15-,16?,17-,18+,19+,20-,22-,23+/m0/s1
SMILES (Click to copy)
[C@]12(CCC3CCCC[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@@]([H])([C@]3([H])COC(=O)C3)CC[C@]21[H])[H]
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
25
Rings
5
Aromatic Rings
0
Rotatable Bonds
1
Van der Waals Molecular Volume
359.60
Topological Polar Surface Area
28.37
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
2
logP
5.88
Molar Refractivity
99.39
Admin
Created at
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Updated at
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