Structure Database (LMSD)

H H HO H OH H
Common Name
(24R)-24-hydroxycholesterol
Systematic Name
(24R)-cholest-5-en-3β,24-diol
Synonyms
  • (24R)-cholest-5-ene-3beta,24-diol
  • 24R-hydroxycholesterol
LM ID
LMST01010164
Formula
C27H46O2
Exact Mass
Calculate m/z
402.34978
Sum Composition
ST 27:1;O2
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

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

String Representations

InChiKey (Click to copy)
IOWMKBFJCNLRTC-RNCHBCSGSA-N
InChi (Click to copy)
InChI=1S/C27H46O2/c1-17(2)25(29)11-6-18(3)22-9-10-23-21-8-7-19-16-20(28)12-14-26(19,4)24(21)13-15-27(22,23)5/h7,17-18,20-25,28-29H,6,8-16H2,1-5H3/t18-,20+,21+,22-,23+,24+,25-,26+,27-/m1/s1
SMILES (Click to copy)
[C@]12([C@]([H])(CC[C@]3(C)[C@@]([H])([C@@H](CC[C@@H](O)C(C)C)C)CC[C@@]13[H])[C@@]1(C)CC[C@@H](CC1=CC2)O)[H]

References

Other Databases

CHEBI ID
50516
PubChem CID
10135759
SwissLipids ID
SLM:000390242
Cayman ID
10217

Calculated Physicochemical Properties

Heavy Atoms 29
Rings 4
Aromatic Rings 0
Rotatable Bonds 5
Van der Waals Molecular Volume 441.16
Topological Polar Surface Area 40.46
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 2
logP 6.93
Molar Refractivity 121.47

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Created at
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Updated at
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