Structure Database (LMSD)

Common Name
(+)-Dysideapalaunic acid
Systematic Name
Synonyms
LM ID
LMPR0105040001
Status
Active
Exact Mass
Calculate m/z
372.30283
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)
VMXBEUNFNFIWLY-HKAUEAINSA-N
InChi (Click to copy)
InChI=1S/C25H40O2/c1-18(2)9-7-14-24(5)15-8-16-25(6)21(20(4)11-13-22(24)25)12-10-19(3)17-23(26)27/h9,17,22H,7-8,10-16H2,1-6H3,(H,26,27)/b19-17+/t22?,24-,25-/m1/s1
SMILES (Click to copy)
C1C[C@]2(C)C(CC/C(/C)=C/C(=O)O)=C(C)CCC2[C@@](CC/C=C(\C)/C)(C)C1

References

Reference
Breitmaier, E. Terpenes: flavors, fragrances, pharmaca, pheromones. Weinheim, Germany: WILEY-VCH, 2006.

Other Databases

PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 27
Rings 2
Aromatic Rings 0
Rotatable Bonds 7
Van der Waals Molecular Volume 423.36
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 7.47
Molar Refractivity 114.78

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Created at
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Updated at
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