Structure Database (LMSD)

Common Name
(-)-Jolkinol B
Systematic Name
Synonyms
LM ID
LMPR0104310004
Status
Active
Exact Mass
Calculate m/z
464.256275
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)
OMBNGHNNZSKBRK-QOYUJADGSA-N
InChi (Click to copy)
InChI=1S/C29H36O5/c1-17-15-21-20(27(21,3)4)13-14-28(5)26(34-28)23-24(31)18(2)16-29(23,25(17)32)33-22(30)12-11-19-9-7-6-8-10-19/h6-12,15,18,20-21,23-24,26,31H,13-14,16H2,1-5H3/b12-11+,17-15-/t18-,20-,21+,23?,24-,26+,28+,29+/m0/s1
SMILES (Click to copy)

References

Other Databases

PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 34
Rings 5
Aromatic Rings 1
Rotatable Bonds 4
Van der Waals Molecular Volume 463.03
Topological Polar Surface Area 76.13
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 5
logP 5.88
Molar Refractivity 131.66

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Created at
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Updated at
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