Structure Database (LMSD)

Common Name
25-methylxestosterol
Systematic Name
24-methylene,25,26,27-trimethylcholest-5-en-3β-ol
Synonyms
LM ID
LMST01031040
Formula
C31H52O
Exact Mass
Calculate m/z
440.401815
Sum Composition
ST 31:2;O
Status
Active
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

Reference
H. Danielsson and J. Sjovall.
Sterols and bile acids.
Elsevier Science Publishers, Amsterdam 1985 pp. 447.

String Representations

InChiKey (Click to copy)
ZJKCEWNYXFSSJJ-ANSWHRQLSA-N
InChi (Click to copy)
InChI=1S/C31H52O/c1-8-29(5,9-2)22(4)11-10-21(3)26-14-15-27-25-13-12-23-20-24(32)16-18-30(23,6)28(25)17-19-31(26,27)7/h12,21,24-28,32H,4,8-11,13-20H2,1-3,5-7H3/t21-,24+,25+,26-,27+,28+,30+,31-/m1/s1
SMILES (Click to copy)
C1[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@]([H])([C@]([H])(C)CCC(=C)C(C)(CC)CC)CC[C@@]4([H])[C@]3([H])CC=C2C[C@@H](O)C1

Other Databases

PubChem CID
52931356

Calculated Physicochemical Properties

Heavy Atoms 32
Rings 4
Aromatic Rings 0
Rotatable Bonds 7
Van der Waals Molecular Volume 498.93
Topological Polar Surface Area 20.23
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 1
logP 9.01
Molar Refractivity 137.94

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Updated at
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