Structure Database (LMSD)
Common Name
Lanugone A
Systematic Name
Synonyms
3D model of Lanugone A
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)
CASURZYJSMDOEQ-CBTMWXCYSA-N
InChi (Click to copy)
InChI=1S/C20H26O3/c1-5-7-13-16(21)12-8-9-14-19(2,3)10-6-11-20(14,4)15(12)18(23)17(13)22/h5,8-9,13-14,17,22H,1,6-7,10-11H2,2-4H3/t13?,14?,17?,20-/m0/s1
SMILES (Click to copy)
C1C[C@]2(C)C3C(=O)C(O)C(CC=C)C(=O)C=3C=CC2C(C)(C)C1
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
23
Rings
3
Aromatic Rings
0
Rotatable Bonds
2
Van der Waals Molecular Volume
330.65
Topological Polar Surface Area
54.37
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
3
logP
3.68
Molar Refractivity
90.23
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Created at
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Updated at
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