LIPID MAPS

Structure Database (LMSD)

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Common Name

Erectusfuranone A

Systematic Name

4-(2S-hydroxy-16methyloctadecyl)furan-2(5H)-one

Synonyms

LM ID

LMFA07040159

Formula

C₂₃H₄₂O₃

Exact Mass

Calculate m/z

366.313395

Sum Composition

FA 23:2;O

Status

Active

Show lipids differing only in stereochemistry/bond geometry

Classification

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Hippospongia lachne (#479639)

Demospongiae (#6042)

Hippobutenolides A and B, two new long-chain fatty acid esters from the marine sponge Hippospongia lachne,
Tetrahedron Letts, 2021

DOI: 10.1016/j.tetlet.2021.153437

String Representations

InChiKey (Click to copy)

POQVWCOTAJKMEE-LWMIZPGFSA-N

InChi (Click to copy)

InChI=1S/C23H42O3/c1-3-20(2)15-13-11-9-7-5-4-6-8-10-12-14-16-22(24)17-21-18-23(25)26-19-21/h18,20,22,24H,3-17,19H2,1-2H3/t20?,22-/m1/s1

SMILES (Click to copy)

C1(=O)C=C(C[C@H](O)CCCCCCCCCCCCCC(C)CC)CO1

Other Databases

PubChem CID

163112333

Calculated Physicochemical Properties

Heavy Atoms 26

Rings 1

Aromatic Rings

Rotatable Bonds 17

Van der Waals Molecular Volume 415.19

Topological Polar Surface Area 48.60

Hydrogen Bond Donors 1

Hydrogen Bond Acceptors 3

logP 6.91

Molar Refractivity 110.14

Admin

Created at

9th Nov 2021

Updated at