LIPID MAPS

Structure Database (LMSD)

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Common Name

Thymifolisteroid A

Systematic Name

24E-ethylidene-3β-hydroxy-4α,14α-5α-cholest-8,24(28)-dien-7-one

Synonyms

LM ID

LMST01040317

Formula

C₃₁H₅₀O₂

Exact Mass

Calculate m/z

454.381081

Sum Composition

ST 31:3;O2

Status

Curated

Show lipids differing only in stereochemistry/bond geometry

No other lipid differing only in stereochemistry/bond geometry found

Classification

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Euphorbia thymifolia (#318061)

Magnoliopsida (#3398)

Ergostane-type steroids from Euphorbia thymifolia with acetylcholinesterase inhibitory effects.,
Nat Prod Res, 2026

Pubmed ID: 42868346

DOI: 10.1080/14786419.2026.2737990

String Representations

InChiKey (Click to copy)

MGYHAPLWVLCMJT-ONUUXRGOSA-N

InChi (Click to copy)

InChI=1S/C31H50O2/c1-9-22(19(2)3)11-10-20(4)23-12-17-31(8)28-24(13-16-30(23,31)7)29(6)15-14-26(32)21(5)25(29)18-27(28)33/h9,19-21,23,25-26,32H,10-18H2,1-8H3/b22-9-/t20-,21+,23-,25+,26+,29-,30-,31+/m1/s1

SMILES (Click to copy)

C1[C@H](O)[C@@H](C)[C@]2([H])CC(=O)C3[C@@]4(CC[C@]([H])([C@H](C)CC/C(=C/C)/C(C)C)[C@@]4(C)CCC=3[C@@]2(C)C1)C

Calculated Physicochemical Properties

Heavy Atoms 33

Rings 4

Aromatic Rings

Rotatable Bonds 5

Van der Waals Molecular Volume 505.08

Topological Polar Surface Area 37.30

Hydrogen Bond Donors 1

Hydrogen Bond Acceptors 2

logP 8.19

Molar Refractivity 138.33

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Created at

20th Oct 2026

Updated at