Structure Database (LMSD)

O O O
Common Name
(-)-5-oxo-1,2-campholide
Systematic Name
(1R,5R)-1,8,8-trimethyl-2-oxabicyclo[3.2.1]octane-3,6-dione
Synonyms
  • 5-Oxo-1,2-campholide
  • 5-oxo-1,2-campholide
LM ID
LMPR0102120042
Formula
C10H14O3
Exact Mass
Calculate m/z
182.094295
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

Category
Main Class
Sub Class
Level 4 Class
Prenol Lipids [PR]
Isoprenoids [PR01]
C10 isoprenoids (monoterpenes) [PR0102]
Bicyclic monoterpenoids [PR010212]

String Representations

InChiKey (Click to copy)
UDJVKSCOEHSXBZ-QUBYGPBYSA-N
InChi (Click to copy)
InChI=1S/C10H14O3/c1-9(2)6-4-8(12)13-10(9,3)5-7(6)11/h6H,4-5H2,1-3H3/t6-,10+/m0/s1
SMILES (Click to copy)
C1[C@@H]2C(C)(C)[C@](C)(OC1=O)CC2=O

References

Other Databases

KEGG ID
C02952
CHEBI ID
18130
PubChem CID
21145039

Calculated Physicochemical Properties

Heavy Atoms 13
Rings 2
Aromatic Rings 0
Rotatable Bonds 0
Van der Waals Molecular Volume 177.93
Topological Polar Surface Area 45.44
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 3
logP 1.59
Molar Refractivity 46.52

Admin

Created at
-
Updated at
-