LIPID MAPS

Structure Database (LMSD)

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Common Name

Trollioester C

Systematic Name

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

Synonyms

LM ID

LMFA07011684

Formula

C₂₇H₅₂O₇

Exact Mass

Calculate m/z

488.371306

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)

YESLELUILDKAQE-ZCKMJCLDSA-N

InChi (Click to copy)

InChI=1S/C27H52O7/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-18-22(34-24(29)17-4-2)19-20-32-27-26(31)25(30)23(28)21-33-27/h22-23,25-28,30-31H,3-21H2,1-2H3/t22-,23+,25-,26+,27+/m0/s1

SMILES (Click to copy)

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

Calculated Physicochemical Properties

Heavy Atoms 34

Rings 1

Aromatic Rings

Rotatable Bonds 22

Van der Waals Molecular Volume 522.19

Topological Polar Surface Area 107.52

Hydrogen Bond Donors 3

Hydrogen Bond Acceptors 7

logP 7.03

Molar Refractivity 136.97

Admin

Created at

3rd Nov 2026

Updated at