Structure Database (LMSD)

Common Name
(+)-Luricularic acid
Systematic Name
(+)-13(17),15-cleistanthadiene-18-oic acid
Synonyms
LM ID
LMPR0104100002
Status
Active
Exact Mass
Calculate m/z
302.22458
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)
XFHAKDIYTJGGSQ-YNTQHKJPSA-N
InChi (Click to copy)
InChI=1S/C20H30O2/c1-5-14-13(2)7-9-16-15(14)8-10-17-19(16,3)11-6-12-20(17,4)18(21)22/h5,14-17H,1-2,6-12H2,3-4H3,(H,21,22)/t14-,15-,16?,17+,19+,20+/m0/s1
SMILES (Click to copy)
C1CC[C@]2(C)C3CCC(=C)[C@H](C=C)[C@]3([H])CC[C@@]2([H])[C@@]1(C(=O)O)C

References

Other Databases

PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 22
Rings 3
Aromatic Rings 0
Rotatable Bonds 2
Van der Waals Molecular Volume 327.14
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 5.06
Molar Refractivity 89.47

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Created at
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Updated at
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