LIPID MAPS

Structure Database (LMSD)

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Common Name

Trollioester F

Systematic Name

3S-butyryloxy-1-O-[β-D-xylopyranosyl-(1′′′->3′′)-2′′-O-acetyl-β-D-xylopyranosyl]octadecan-3-ol

Synonyms

LM ID

LMFA07011687

Formula

C₃₄H₆₂O₁₂

Exact Mass

Calculate m/z

662.424131

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)

DRECAGMSWKMCPQ-NTKPBHLSSA-N

InChi (Click to copy)

InChI=1S/C34H62O12/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-19-25(45-28(38)18-5-2)20-21-41-34-32(44-24(3)35)31(27(37)23-43-34)46-33-30(40)29(39)26(36)22-42-33/h25-27,29-34,36-37,39-40H,4-23H2,1-3H3/t25-,26+,27+,29-,30+,31-,32+,33-,34+/m0/s1

SMILES (Click to copy)

C(C[C@@H](OC(CCC)=O)CCCCCCCCCCCCCCC)O[C@@H]1OC[C@@H](O)[C@H](O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@H]1OC(C)=O

Calculated Physicochemical Properties

Heavy Atoms 46

Rings 2

Aromatic Rings

Rotatable Bonds 26

Van der Waals Molecular Volume 672.24

Topological Polar Surface Area 174.58

Hydrogen Bond Donors 4

Hydrogen Bond Acceptors 12

logP 7.49

Molar Refractivity 175.68

Admin

Created at

3rd Nov 2026

Updated at