LIPID MAPS

Structure Database (LMSD)

Download as... MDLMOL SDF CSV TSV PNG SVG

Common Name

2-Deoxy-25-Methyldolichosterone

Systematic Name

3α,22R,23R-Trihydroxy-25-methyl-5α-ergost-24(28)-en-6-one

Synonyms

LM ID

LMST01031384

Formula

C₂₉H₄₈O₄

Exact Mass

Calculate m/z

460.355261

Sum Composition

ST 29:2;O4

Status

Curated

Show lipids differing only in stereochemistry/bond geometry

Classification

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Phaseolus vulgaris (#3885)

Magnoliopsida (#3398)

2-Deoxy-25-methyldolichosterone and 3-epi-2-Deoxy-25-methyldolichosterone in Immature Seeds of Phaseolus vulgaris,
Bull Korean Chem Soc, 2009

String Representations

InChiKey (Click to copy)

VWEHHIHNZFXYIU-DFEYTUJKSA-N

InChi (Click to copy)

InChI=1S/C29H48O4/c1-16(25(32)26(33)17(2)27(3,4)5)20-8-9-21-19-15-24(31)23-14-18(30)10-12-29(23,7)22(19)11-13-28(20,21)6/h16,18-23,25-26,30,32-33H,2,8-15H2,1,3-7H3/t16-,18+,19-,20+,21-,22-,23+,25+,26+,28+,29+/m0/s1

SMILES (Click to copy)

[C@]12(CC(=O)[C@@]3([H])C[C@H](O)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@@]([H])([C@@](C)([H])[C@@H](O)[C@H](O)C(=C)C(C)(C)C)CC[C@@]21[H])[H]

Other Databases

PubChem CID

14607938

Calculated Physicochemical Properties

Heavy Atoms 33

Rings 4

Aromatic Rings

Rotatable Bonds 5

Van der Waals Molecular Volume 490.70

Topological Polar Surface Area 77.76

Hydrogen Bond Donors 3

Hydrogen Bond Acceptors 4

logP 6.00

Molar Refractivity 132.92

Admin

Created at

17th Feb 2026

Updated at