Structure Database (LMSD)

Common Name
6-Deoxydolichosterone
Systematic Name
24-methylene-campestan-2α,3α,22R,23R-tetrol
Synonyms
  • 2alpha,3alpha,22R,23R-tetra-hydroxy-24S-methyl-5alpha-cholest24(28)ene
LM ID
LMST01031374
Formula
C28H48O4
Exact Mass
Calculate m/z
448.355261
Sum Composition
ST 28:1;O4
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Sterol Lipids [ST]
Sterols [ST01]
Ergosterols and C24-methyl derivatives [ST0103]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Phaseolus vulgaris (#3885)
Magnoliopsida (#3398)
6-Deoxocastasterone and 6-Deoxo dolichosterone: Putative Precursors for Brassinolide- related Steroids from Phaseolus vulgaris,
Agric Biol Chem, 1983

String Representations

InChiKey (Click to copy)
YCYJLHFHRKUCQX-QDWYQEIHSA-N
InChi (Click to copy)
InChI=1S/C28H48O4/c1-15(2)16(3)25(31)26(32)17(4)20-9-10-21-19-8-7-18-13-23(29)24(30)14-28(18,6)22(19)11-12-27(20,21)5/h15,17-26,29-32H,3,7-14H2,1-2,4-6H3/t17-,18-,19-,20+,21-,22-,23-,24+,25+,26+,27+,28-/m0/s1
SMILES (Click to copy)
[C@]12(CC[C@@]3([H])C[C@H](O)[C@H](O)C[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)CC[C@@]21[H])[H]

Other Databases

PubChem CID
13870428

Calculated Physicochemical Properties

Heavy Atoms 32
Rings 4
Aromatic Rings
Rotatable Bonds 5
Van der Waals Molecular Volume 476.04
Topological Polar Surface Area 80.92
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 4
logP 5.69
Molar Refractivity 129.82

Admin

Created at
3rd Sep 2025
Updated at
3rd Sep 2025