Structure Database (LMSD)

H HO H H H H
Systematic Name
24-nor-cholest-5,22E-dien-3β-ol
Synonyms
LM ID
LMST01031050
Formula
C26H42O
Exact Mass
Calculate m/z
370.323565
Sum Composition
ST 26:2;O
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

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

String Representations

InChiKey (Click to copy)
BKWBRNDZAJHCMT-LMLIWZCBSA-N
InChi (Click to copy)
InChI=1S/C26H42O/c1-17(2)6-7-18(3)22-10-11-23-21-9-8-19-16-20(27)12-14-25(19,4)24(21)13-15-26(22,23)5/h6-8,17-18,20-24,27H,9-16H2,1-5H3/b7-6+/t18-,20+,21+,22-,23+,24+,25+,26-/m1/s1
SMILES (Click to copy)
C1[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@]([H])([C@]([H])(C)/C=C/C(C)C)CC[C@@]4([H])[C@]3([H])CC=C2C[C@@H](O)C1

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Protodinium simplex (#2957)
Dinophyceae (#2864)
Marine Sterols,
Nat Prod Rep, 1991

Other Databases

PubChem CID
15599441

Calculated Physicochemical Properties

Heavy Atoms 27
Rings 4
Aromatic Rings 0
Rotatable Bonds 3
Van der Waals Molecular Volume 412.43
Topological Polar Surface Area 20.23
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 1
logP 7.06
Molar Refractivity 114.85

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Created at
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Updated at
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