LIPID MAPS

Structure Database (LMSD)

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Common Name

Trollioester B

Systematic Name

(S,E)-Ethyl 10-coumaroyloxy-16-hydroxyhexadecanoate

Synonyms

LM ID

LMFA07100029

Formula

C₂₇H₄₂O₆

Exact Mass

Calculate m/z

462.298141

Status

Curated

Show lipids differing only in stereochemistry/bond geometry

Classification

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Trollius chinensis (#78479)

Magnoliopsida (#3398)

Previously Undescribed Esters and an Alkaloid From Trollius chinensis With Anti-Inflammatory and Cytotoxic Activities.,
Chem Biodivers, 2026

Pubmed ID: 42960691

DOI: 10.1002/cbdv.71887

String Representations

InChiKey (Click to copy)

GZGSOGIZHMXTBD-MONSYSNTSA-N

InChi (Click to copy)

InChI=1S/C27H42O6/c1-2-32-26(30)15-11-6-4-3-5-9-13-25(14-10-7-8-12-22-28)33-27(31)21-18-23-16-19-24(29)20-17-23/h16-21,25,28-29H,2-15,22H2,1H3/b21-18+/t25-/m0/s1

SMILES (Click to copy)

C(CCCCCCCC[C@H](OC(/C=C/C1C=CC(O)=CC=1)=O)CCCCCCO)(=O)OCC

Calculated Physicochemical Properties

Heavy Atoms 33

Rings 1

Aromatic Rings 1

Rotatable Bonds 21

Van der Waals Molecular Volume 489.30

Topological Polar Surface Area 93.06

Hydrogen Bond Donors 2

Hydrogen Bond Acceptors 6

logP 6.80

Molar Refractivity 132.25

Admin

Created at

3rd Nov 2026

Updated at