Structure Database (LMSD)

Common Name
(+)-Prezizene
Systematic Name
(1S,2S,5S,8R)-2,6,6-trimethyl-7-methylidenetricyclo[6.2.1.0-1,5]undecane
Synonyms
  • Prezizaene
LM ID
LMPR0103700001
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]
Zizaane and prezizaane sesquiterpenoids [PR010370]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Chrysopogon zizanioides (#167337)
Magnoliopsida (#3398)
Headspace Constituents of Vetiver Oil,
Z Naturforschung B, 1947

String Representations

InChiKey (Click to copy)
RFSYBMDOYOBTCL-ZGFBFQLVSA-N
InChi (Click to copy)
InChI=1S/C15H24/c1-10-5-6-13-14(3,4)11(2)12-7-8-15(10,13)9-12/h10,12-13H,2,5-9H2,1,3-4H3/t10-,12+,13+,15-/m0/s1
SMILES (Click to copy)
[C@]123CC[C@@H](C(=C)C(C)(C)[C@@]1([H])CC[C@@H]2C)C3

Other Databases

PubChem CID
73950880

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
9th May 2022