Structure Database (LMSD)

Common Name
Lanugone A
Systematic Name
Synonyms
LM ID
LMPR0104060002
Status
Active
Exact Mass
Calculate m/z
314.188195
Formula


Download as...
MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

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

References

Other Databases

PubChem CID

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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