Structure Database (LMSD)

Systematic Name
14-Methyl-cholest-8-en-3β-ol
Synonyms
LM ID
LMST01010136
Formula
C28H48O
Exact Mass
Calculate m/z
400.370515
Sum Composition
ST 28:1;O
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Sterol Lipids [ST]
Sterols [ST01]
Cholesterol and derivatives [ST0101]

String Representations

InChiKey (Click to copy)
CYEADWAQMXQSDD-KBZHUVSESA-N
InChi (Click to copy)
InChI=1S/C28H48O/c1-19(2)8-7-9-20(3)23-13-16-28(6)25-11-10-21-18-22(29)12-15-26(21,4)24(25)14-17-27(23,28)5/h19-23,29H,7-18H2,1-6H3/t20?,21?,22-,23+,26-,27+,28-/m0/s1
SMILES (Click to copy)
C1C[C@@]2(C3CC[C@]4([C@](C)(C=3CCC2C[C@H]1O)CC[C@@H]4C(C)CCCC(C)C)C)C

Other Databases

PubChem CID
42608383

Calculated Physicochemical Properties

Heavy Atoms 29
Rings 4
Aromatic Rings 0
Rotatable Bonds 5
Van der Waals Molecular Volume 449.67
Topological Polar Surface Area 20.23
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 1
logP 8.21
Molar Refractivity 124.25

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Created at
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Updated at
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