Structure Database (LMSD)

Common Name
24Z-Ethylidene-4alpha,14alpha-dlmethylcholest-9(11)-en-3beta-ol
Systematic Name
4α,14α-Stigmasta-9(11),24Z(28)-dien-3β-ol
Synonyms
LM ID
LMST01040316
Formula
C31H52O
Exact Mass
Calculate m/z
440.401816
Sum Composition
ST 31:2;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)
ZIZODWXWMZVEEM-BBIJJHCCSA-N
InChi (Click to copy)
InChI=1S/C31H52O/c1-9-23(20(2)3)11-10-21(4)24-14-18-31(8)27-13-12-25-22(5)28(32)16-17-29(25,6)26(27)15-19-30(24,31)7/h9,15,20-22,24-25,27-28,32H,10-14,16-19H2,1-8H3/b23-9-/t21-,22+,24-,25+,27-,28+,29+,30-,31+/m1/s1
SMILES (Click to copy)
C1[C@]2(C)C3=CC[C@]4(C)[C@@]([H])([C@]([H])(C)CC/C(=C/C)/C(C)C)CC[C@@]4(C)[C@]3([H])CC[C@@]2([H])[C@H](C)[C@@H](O)C1

Other Databases

PubChem CID
15250865

Calculated Physicochemical Properties

Heavy Atoms 32
Rings 4
Aromatic Rings
Rotatable Bonds 5
Van der Waals Molecular Volume 498.93
Topological Polar Surface Area 20.23
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 1
logP 8.87
Molar Refractivity 137.87

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