LIPID MAPS

Structure Database (LMSD)

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Common Name

Chaetolactone A

Systematic Name

Synonyms

LM ID

LMPK15030063

Formula

C₁₉H₂₆O₆

Exact Mass

Calculate m/z

350.17294

Status

Curated

Show lipids differing only in stereochemistry/bond geometry

Classification

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Chaetosphaeronema sp. (#1755421)

Dothideomycetes (#147541)

A new resorcylic acid lactone from the endophytic fungus Chaetosphaeronema sp.,
J Asian Nat Prod Res, 2024

Pubmed ID: 38629616

String Representations

InChiKey (Click to copy)

RSOBBEOOIDVZHT-GNGAWQMMSA-N

InChi (Click to copy)

InChI=1S/C19H26O6/c1-12-8-15(21)10-14(20)7-5-3-4-6-13-9-16(24-2)11-17(22)18(13)19(23)25-12/h4,6,9,11-12,14-15,20-22H,3,5,7-8,10H2,1-2H3/b6-4+/t12-,14+,15+/m0/s1

SMILES (Click to copy)

C1(O)=CC(OC)=CC2C=CCCC[C@@H](O)C[C@@](O)([H])C[C@H](C)OC(=O)C1=2

Calculated Physicochemical Properties

Heavy Atoms 25

Rings 2

Aromatic Rings 1

Rotatable Bonds 1

Van der Waals Molecular Volume 341.18

Topological Polar Surface Area 98.29

Hydrogen Bond Donors 3

Hydrogen Bond Acceptors 6

logP 3.50

Molar Refractivity 95.20

Admin

Created at

18th Apr 2024

Updated at