Structure Database (LMSD)

Common Name
Clavufuranolide A
Systematic Name
Synonyms
LM ID
LMPR0104240012
Status
Active
Exact Mass
Calculate m/z
304.24023
Formula


Download as...
MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

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

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

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

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