Structure Database (LMSD)

Common Name
25-Methyldolichosterone
Systematic Name
2α,3α,22R,23R-Tetrahydroxy-25-methyl-5α-ergost-24(28)-en-6-one
Synonyms
LM ID
LMST01031383
Formula
C29H48O5
Exact Mass
Calculate m/z
476.350176
Sum Composition
ST 29:2;O5
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)
No citation found

String Representations

InChiKey (Click to copy)
HAOQPQZVDMAOKT-SBQKBANHSA-N
InChi (Click to copy)
InChI=1S/C29H48O5/c1-15(25(33)26(34)16(2)27(3,4)5)18-8-9-19-17-12-22(30)21-13-23(31)24(32)14-29(21,7)20(17)10-11-28(18,19)6/h15,17-21,23-26,31-34H,2,8-14H2,1,3-7H3/t15-,17-,18+,19-,20-,21+,23-,24+,25+,26+,28+,29+/m0/s1
SMILES (Click to copy)
[C@]12(CC(=O)[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)C)CC[C@@]21[H])[H]

Other Databases

PubChem CID
13991216

Calculated Physicochemical Properties

Heavy Atoms 34
Rings 4
Aromatic Rings
Rotatable Bonds 5
Van der Waals Molecular Volume 499.49
Topological Polar Surface Area 97.99
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 5
logP 5.26
Molar Refractivity 134.82

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Created at
16th Feb 2026
Updated at
16th Feb 2026