Structure Database (LMSD)
Common Name
(-)-Cladielline
Systematic Name
(-)-6α,13α-epoxy-4(18),8-eunicelladiene-12β-ol
Synonyms
3D model of (-)-Cladielline
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
Category
Main Class
Sub Class
Level 4 Class
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
unclassified Cladiella
(#2625450)
Anthozoa
(#6101)
Two new diterpenes related to eunicellin from a cladiella species (soft coral),
Tetrahedron Letts, 1977
Tetrahedron Letts, 1977
String Representations
InChiKey (Click to copy)
JRIWYQNERQUJOM-ZSQWWYBESA-N
InChi (Click to copy)
InChI=1S/C20H32O2/c1-12(2)15-9-8-14(4)17-16-11-13(3)7-6-10-20(5,21)19(22-16)18(15)17/h7,12,15-19,21H,4,6,8-11H2,1-3,5H3/b13-7-/t15-,16-,17-,18-,19-,20+/m1/s1
SMILES (Click to copy)
Other Databases
PubChem CID
Calculated Physicochemical Properties
Heavy Atoms
22
Rings
3
Aromatic Rings
0
Rotatable Bonds
1
Van der Waals Molecular Volume
329.78
Topological Polar Surface Area
31.53
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
2
logP
5.35
Molar Refractivity
92.11
Admin
Created at
-
Updated at
11th Mar 2024