LIPID MAPS

Structure Database (LMSD)

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Common Name

6beta,11alpha-Dihydroxytestosterone

Systematic Name

6β,11α,17β-trihydroxyandrost-4-en-3-one

Synonyms

LM ID

LMST02020151

Formula

C₁₉H₂₈O₄

Exact Mass

Calculate m/z

320.198761

Sum Composition

ST 19:2;O4

Status

Curated

Show lipids differing only in stereochemistry/bond geometry

Classification

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Mucor (#4830)

Mucoromycetes (#2212703)

Biocatalyst mediated production of 6β,11α-dihydroxy derivatives of 4-ene-3-one steroids.,
Steroids, 2013

Pubmed ID: 23985409

DOI: 10.1016/j.steroids.2013.08.004

String Representations

InChiKey (Click to copy)

RXPVSQHVUJODFB-VYVKYUHFSA-N

InChi (Click to copy)

InChI=1S/C19H28O4/c1-18-6-5-10(20)7-13(18)14(21)8-11-12-3-4-16(23)19(12,2)9-15(22)17(11)18/h7,11-12,14-17,21-23H,3-6,8-9H2,1-2H3/t11-,12-,14+,15+,16-,17+,18-,19-/m0/s1

SMILES (Click to copy)

C1[C@@H](O)C2[C@@](C)([C@@]3([H])[C@H](O)C[C@@]4([C@H](CC[C@@]4([H])[C@]13[H])O)C)CCC(=O)C=2

Other Databases

PubChem CID

57896250

Calculated Physicochemical Properties

Heavy Atoms 23

Rings 4

Aromatic Rings

Rotatable Bonds

Van der Waals Molecular Volume 317.70

Topological Polar Surface Area 77.76

Hydrogen Bond Donors 3

Hydrogen Bond Acceptors 4

logP 2.68

Molar Refractivity 87.03

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Created at

13th May 2026

Updated at