Structure Database (LMSD)

Common Name
Campestanol
Systematic Name
5α-campestan-3β-ol
Synonyms
LM ID
LMST01030103
Status
Active
Exact Mass
Calculate m/z
402.386165
Formula
C28H50O
Abbrev
ST 28:0;O
Show lipids differing only in stereochemistry/bond geometry
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MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

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

String Representations

InChiKey (Click to copy)
ARYTXMNEANMLMU-ATEDBJNTSA-N
InChi (Click to copy)
InChI=1S/C28H50O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h18-26,29H,7-17H2,1-6H3/t19-,20-,21+,22+,23+,24-,25+,26+,27+,28-/m1/s1
SMILES (Click to copy)
C1[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@]([H])([C@]([H])(C)CC[C@@H](C)C(C)C)CC[C@@]4([H])[C@]3([H])CC[C@@]2([H])C[C@@H](O)C1

References

Other Databases

HMDB ID
HMDB00534
CHEBI ID
36799
LIPIDBANK ID
SST9086
PubChem CID
119394
Cayman ID
26538

Calculated Physicochemical Properties

Heavy Atoms 29
Rings 4
Aromatic Rings 0
Rotatable Bonds 5
Van der Waals Molecular Volume 452.31
Topological Polar Surface Area 20.23
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 1
logP 8.00
Molar Refractivity 124.14

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Created at
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Updated at
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