LIPID MAPS

Structure Database (LMSD)

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Common Name

Clavurol F

Systematic Name

Synonyms

LM ID

LMPR0104240011

Formula

C₂₀H₃₄O₃

Exact Mass

Calculate m/z

322.250795

Status

Curated

Show lipids differing only in stereochemistry/bond geometry

Classification

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)

DIVHJQBQFDNNGP-DMWGLHFQSA-N

InChi (Click to copy)

InChI=1S/C20H34O3/c1-14-7-6-8-15(2)13-16(21)17-19(5,10-9-14)11-12-20(17,23)18(3,4)22/h8,16-17,21-23H,1,6-7,9-13H2,2-5H3/b15-8+/t16-,17+,19-,20-/m1/s1

SMILES (Click to copy)

C1C[C@](O)(C(O)(C)C)[C@@]2([H])[C@H](O)CC(C)=CCCC(=C)CC[C@]12C

Other Databases

PubChem CID

171119637

Calculated Physicochemical Properties

Heavy Atoms 23

Rings 2

Aromatic Rings

Rotatable Bonds 1

Van der Waals Molecular Volume 350.93

Topological Polar Surface Area 60.69

Hydrogen Bond Donors 3

Hydrogen Bond Acceptors 3

logP 4.59

Molar Refractivity 95.60

Admin

Created at

6th Feb 2022

Updated at