Structure Database (LMSD)

Common Name
(-)-Enunicelline
Systematic Name
(-)-6α,13α-epoxy-8(19)-eunicellene-3α,4β,9β,12β-tetrol
Synonyms
LM ID
LMPR0104210002
Status
Active
Exact Mass
Calculate m/z
354.240625
Formula
C20H34O5
Show lipids differing only in stereochemistry/bond geometry
Download as...
MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

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)
SUIXMZMMFNVBIF-HMALJIELSA-N
InChi (Click to copy)
InChI=1S/C20H34O5/c1-10(2)12-9-15(22)20(5,24)17-14-8-11(3)13(21)6-7-19(4,23)18(25-14)16(12)17/h10,12-18,21-24H,3,6-9H2,1-2,4-5H3/t12-,13+,14-,15+,16-,17-,18-,19+,20-/m1/s1
SMILES (Click to copy)

References

Other Databases

PubChem CID
42608230

Calculated Physicochemical Properties

Heavy Atoms 25
Rings 3
Aromatic Rings 0
Rotatable Bonds 1
Van der Waals Molecular Volume 358.79
Topological Polar Surface Area 92.22
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 5
logP 3.34
Molar Refractivity 97.91

Admin

Created at
-
Updated at
-