Structure Database (LMSD)

Common Name
(+)-beta-Isolongibornene
Systematic Name
Synonyms
LM ID
LMPR0103510001
Status
Active
Exact Mass
Calculate m/z
204.1878
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)
OYBHJKDJMRMSLX-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C15H24/c1-10-11-6-7-12-13(10)14(2,3)8-5-9-15(11,12)4/h11-13H,1,5-9H2,2-4H3
SMILES (Click to copy)
C1(=C)C2C(C)(C)CCCC3(C)C1CCC23

References

Reference
Fraga, B. M. Natural sesquiterpenoids. Nat. Prod. Rep., 2005, 22, 465-486.

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Scapania undulata (#215256)
Jungermanniopsida (#186771)
Natural sesquiterpenoids.,
Nat Prod Rep, 2005
Pubmed ID: 16047046

Other Databases

PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 15
Rings 3
Aromatic Rings 0
Rotatable Bonds 0
Van der Waals Molecular Volume 228.34
Topological Polar Surface Area 0.00
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 0
logP 4.42
Molar Refractivity 64.58

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Created at
-
Updated at
23rd Jul 2021