Structure Database (LMSD)

Common Name
beta-Cubebene
Systematic Name
Synonyms
LM ID
LMPR0103440002
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]
Cubebane and ivaxillarane sesquiterpenoids [PR010344]

String Representations

InChiKey (Click to copy)
FSRZGYRCMPZNJF-PFNKYVCDSA-N
InChi (Click to copy)
InChI=1S/C15H24/c1-9(2)12-6-5-11(4)15-8-7-10(3)13(15)14(12)15/h9,11-14H,3,5-8H2,1-2,4H3/t11-,12+,13-,14-,15?/m1/s1
SMILES (Click to copy)
[C@]12([H])C3(CCC([C@@]31[H])=C)[C@H](C)CC[C@H]2C(C)C

Other Databases

PubChem CID
42608160

Calculated Physicochemical Properties

Heavy Atoms 15
Rings 3
Aromatic Rings 0
Rotatable Bonds 1
Van der Waals Molecular Volume 228.34
Topological Polar Surface Area 0.00
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 0
logP 4.27
Molar Refractivity 64.51

Admin

Created at
-
Updated at
-