Structure Database (LMSD)

Common Name
(+)-beta-Isolongibornene
Systematic Name
Synonyms
LM ID
LMPR0103510001
Formula
C15H24
Exact Mass
Calculate m/z
204.1878
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Level 4 Class
Prenol Lipids [PR]
Isoprenoids [PR01]
C15 isoprenoids (sesquiterpenes) [PR0103]
Longibornane sesquiterpenoids [PR010351]

References

Taxonomy Information

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

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

Other Databases

PubChem CID
42608170

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

Admin

Created at
-
Updated at
23rd Jul 2021