Structure Database (LMSD)

Common Name
Clavufuranolide A
Systematic Name
Synonyms
LM ID
LMPR0104240012
Formula
C20H32O2
Exact Mass
Calculate m/z
304.24023
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Level 4 Class
Prenol Lipids [PR]
Isoprenoids [PR01]
C20 isoprenoids (diterpenes) [PR0104]
Dolabellane and modified dolabellane diterpenoids [PR010424]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Clavularia viridis (#153213)
Anthozoa (#6101)
Dolabellane Diterpenoids from the Xisha Soft Coral Clavularia viridis.,
ACS Omega, 2022
Pubmed ID: 35097299

String Representations

InChiKey (Click to copy)
WFVXDIDSVCIQEU-DMWGLHFQSA-N
InChi (Click to copy)
InChI=1S/C20H32O2/c1-14-7-6-8-15(2)13-16-17-19(5,10-9-14)11-12-20(17,21)18(3,4)22-16/h8,16-17,21H,1,6-7,9-13H2,2-5H3/b15-8+/t16-,17+,19-,20-/m1/s1
SMILES (Click to copy)
C1C[C@]2(O)C(O[C@@H]3CC(C)=CCCC(=C)CC[C@@]1(C)[C@@]23[H])(C)C

Other Databases

PubChem CID
171119627

Calculated Physicochemical Properties

Heavy Atoms 22
Rings 3
Aromatic Rings
Rotatable Bonds
Van der Waals Molecular Volume 329.78
Topological Polar Surface Area 31.53
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 5.64
Molar Refractivity 92.25

Admin

Created at
6th Feb 2022
Updated at
6th Feb 2022