Structure Database (LMSD)

Common Name
3-Gymnomitrene
Systematic Name
Synonyms
LM ID
LMPR0103880001
Formula
C15H24
Exact Mass
Calculate m/z
204.1878
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]
C15 isoprenoids (sesquiterpenes) [PR0103]
Gymnomitrane sesquiterpenoids [PR010388]

String Representations

InChiKey (Click to copy)
RMKQBFUAKZOVPQ-KBXIAJHMSA-N
InChi (Click to copy)
InChI=1S/C15H24/c1-11-6-9-13(2)10-12(11)14(3)7-5-8-15(13,14)4/h6,12H,5,7-10H2,1-4H3/t12-,13-,14+,15+/m1/s1
SMILES (Click to copy)
C1C=C(C)[C@@H]2[C@]3(C)CCC[C@@]3(C)[C@@]1(C)C2

References

Other Databases

PubChem CID
42608205

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 4.56
Molar Refractivity 64.65

Admin

Created at
-
Updated at
-