LIPID MAPS

Structure Database (LMSD)

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Common Name

11beta-Hydroxyetiocholanolone

Systematic Name

3α,11β-dihydroxy-5β-androstan-17-one

Synonyms

LM ID

LMST02020149

Formula

C₁₉H₃₀O₃

Exact Mass

Calculate m/z

306.219496

Sum Composition

ST 19:1;O3

Status

Curated

Show lipids differing only in stereochemistry/bond geometry

Classification

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Homo sapiens (#9606)

Mammalia (#40674)

Studies in steroid metabolism. XIV. The isolation from human urine of delta9 17-ketosteroids.,
J Biol Chem, 1952

Pubmed ID: 12981019

DOI: 10.1016/s0021-9258(19)52410-3

String Representations

InChiKey (Click to copy)

PIXFHVWJOVNKQK-DLAZEALESA-N

InChi (Click to copy)

InChI=1S/C19H30O3/c1-18-8-7-12(20)9-11(18)3-4-13-14-5-6-16(22)19(14,2)10-15(21)17(13)18/h11-15,17,20-21H,3-10H2,1-2H3/t11-,12-,13+,14+,15+,17-,18+,19+/m1/s1

SMILES (Click to copy)

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

Other Databases

KEGG ID

C14553

CHEBI ID

34351

PubChem CID

101849

Cayman ID

33190

Calculated Physicochemical Properties

Heavy Atoms 22

Rings 4

Aromatic Rings

Rotatable Bonds

Van der Waals Molecular Volume 311.55

Topological Polar Surface Area 57.53

Hydrogen Bond Donors 2

Hydrogen Bond Acceptors 3

logP 3.50

Molar Refractivity 85.15

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Created at

8th Dec 2025

Updated at