LIPID MAPS

Structure Database (LMSD)

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Common Name

Trollioester D

Systematic Name

3S-acetoxy-1-O-β-D-xylopyranosyloctadecan-3-ol

Synonyms

LM ID

LMFA07011685

Formula

C₂₅H₄₈O₇

Exact Mass

Calculate m/z

460.340006

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)

YAJCKVRMPCEYFE-HNRDJRCMSA-N

InChi (Click to copy)

InChI=1S/C25H48O7/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21(32-20(2)26)17-18-30-25-24(29)23(28)22(27)19-31-25/h21-25,27-29H,3-19H2,1-2H3/t21-,22+,23-,24+,25+/m0/s1

SMILES (Click to copy)

C(C[C@@H](OC(C)=O)CCCCCCCCCCCCCCC)O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O

Calculated Physicochemical Properties

Heavy Atoms 32

Rings 1

Aromatic Rings

Rotatable Bonds 20

Van der Waals Molecular Volume 487.59

Topological Polar Surface Area 107.52

Hydrogen Bond Donors 3

Hydrogen Bond Acceptors 7

logP 6.25

Molar Refractivity 127.74

Admin

Created at

3rd Nov 2026

Updated at