Structure Database (LMSD)

O OH H H
Common Name
(-)-Cladielline
Systematic Name
(-)-6α,13α-epoxy-4(18),8-eunicelladiene-12β-ol
Synonyms
LM ID
LMPR0104210003
Formula
C20H32O2
Exact Mass
Calculate m/z
304.24023
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]
C20 isoprenoids (diterpenes) [PR0104]
Eunicellane and asbestinane diterpenoids [PR010421]

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)

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

Other Databases

PubChem CID
101907481

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