Structure Database (LMSD)

Common Name
8beta-Hydroxy-3-longipinen-5-one
Systematic Name
Synonyms
LM ID
LMPR0103490002
Formula
C15H22O2
Exact Mass
Calculate m/z
234.16198
Status
Curated
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]
Longipinane sesquiterpenoids [PR010349]

String Representations

InChiKey (Click to copy)
OHOHYEGETNXOJK-CEJAEVFISA-N
InChi (Click to copy)
InChI=1S/C15H22O2/c1-8-7-9(16)12-13-11(8)15(12,4)10(17)5-6-14(13,2)3/h7,10-13,17H,5-6H2,1-4H3/t10-,11?,12?,13?,15+/m0/s1
SMILES (Click to copy)
C12C(=O)C=C(C)C3[C@@]1(C)[C@@H](O)CCC(C)(C)C23

Other Databases

CHEBI ID
184297
PubChem CID
42608168

Calculated Physicochemical Properties

Heavy Atoms 17
Rings 5
Aromatic Rings 0
Rotatable Bonds 0
Van der Waals Molecular Volume 235.68
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 2.85
Molar Refractivity 66.87

Admin

Created at
-
Updated at
-