LIPID MAPS

Structure Database (LMSD)

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Systematic Name

3α-Acetoxy-11α-hydroxy-5β-cholan-24-oic Acid

Synonyms

LM ID

LMST04010486

Formula

C₂₆H₄₂O₅

Exact Mass

Calculate m/z

434.303226

Sum Composition

ST 26:2;O5

Status

Curated

Show lipids differing only in stereochemistry/bond geometry

Classification

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Aspergillus ochraceus (#40380)

Eurotiomycetes (#147545)

11α-hydroxylated derivatives of lithocholic acid produced by microbial biotransformation and their anti-aging effects.,
Steroids, 2026

Pubmed ID: 42906741

DOI: 10.1016/j.steroids.2026.109857

String Representations

InChiKey (Click to copy)

RDDSVVJZRDEJPB-UYXZXUCWSA-N

InChi (Click to copy)

InChI=1S/C26H42O5/c1-15(5-10-23(29)30)20-8-9-21-19-7-6-17-13-18(31-16(2)27)11-12-25(17,3)24(19)22(28)14-26(20,21)4/h15,17-22,24,28H,5-14H2,1-4H3,(H,29,30)/t15-,17-,18-,19+,20-,21+,22-,24-,25+,26-/m1/s1

SMILES (Click to copy)

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

Calculated Physicochemical Properties

Heavy Atoms 31

Rings 4

Aromatic Rings

Rotatable Bonds 6

Van der Waals Molecular Volume 447.59

Topological Polar Surface Area 83.83

Hydrogen Bond Donors 2

Hydrogen Bond Acceptors 5

logP 5.62

Molar Refractivity 119.22

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Created at

27th Oct 2026

Updated at