Structure Database (LMSD)

Common Name
Manoalide
Systematic Name
Synonyms
LM ID
LMPR0105020001
Status
Active
Exact Mass
Calculate m/z
416.256275
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)
FGJIDQWRRLDGDB-KREAIKSFSA-N
InChi (Click to copy)
InChI=1S/C25H36O5/c1-16(10-12-20-17(2)8-6-14-25(20,3)4)7-5-9-18-11-13-21(29-23(18)27)19-15-22(26)30-24(19)28/h7,11,15,21,23-24,27-28H,5-6,8-10,12-14H2,1-4H3/b16-7+/t21-,23-,24?/m1/s1
SMILES (Click to copy)
C1[C@](C)(C)C(CC/C(/C)=C/CCC2=CC[C@H](C3=CC(=O)OC3O)O[C@H]2O)=C(C)CC1

References

Other Databases

Wikipedia
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 30
Rings 3
Aromatic Rings 0
Rotatable Bonds 7
Van der Waals Molecular Volume 434.73
Topological Polar Surface Area 80.13
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 5
logP 5.71
Molar Refractivity 117.85

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Created at
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Updated at
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