Structure Database (LMSD)

Common Name
24Z-Ethylidene-4alpha-methylcholest-8(14)-enol
Systematic Name
4α-methyl-Stigmasta-8(14),24(28)-dien-3β-ol
Synonyms
LM ID
LMST01040313
Formula
C30H50O
Exact Mass
Calculate m/z
426.386166
Sum Composition
ST 30:2;O
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Sterol Lipids [ST]
Sterols [ST01]
Stigmasterols and C24-ethyl derivatives [ST0104]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Phaseolus vulgaris (#3885)
Magnoliopsida (#3398)
25-Methylgramisterol and other 4α-methylsterols from Phaseolus vulgaris seeds,
Phytochemistry, 1989

String Representations

InChiKey (Click to copy)
AKVZDXJZUDQNTI-GKWDERGLSA-N
InChi (Click to copy)
InChI=1S/C30H50O/c1-8-22(19(2)3)10-9-20(4)24-13-14-26-23-11-12-25-21(5)28(31)16-18-30(25,7)27(23)15-17-29(24,26)6/h8,19-21,24-25,27-28,31H,9-18H2,1-7H3/b22-8-/t20-,21+,24-,25+,27+,28+,29-,30+/m1/s1
SMILES (Click to copy)
C1[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@]([H])([C@]([H])(C)CC/C(=C/C)/C(C)C)CCC4=C3CC[C@@]2([H])[C@H](C)[C@@H](O)C1

Other Databases

PubChem CID
101614283

Calculated Physicochemical Properties

Heavy Atoms 31
Rings 4
Aromatic Rings
Rotatable Bonds 5
Van der Waals Molecular Volume 481.63
Topological Polar Surface Area 20.23
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 1
logP 8.62
Molar Refractivity 133.32

Admin

Created at
28th Nov 2025
Updated at
28th Nov 2025