Structure Database (LMSD)

H HO H H H OH H H
Common Name
15beta-hydroxycholestane
Systematic Name
5α-cholest-8(14)-an-3β,15β-diol
Synonyms
  • 15beta-hydroxycholestanol
LM ID
LMST01010359
Formula
C27H48O2
Exact Mass
Calculate m/z
404.36543
Sum Composition
ST 27:0;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)
MSKYNEGIINKEKI-PRKDSDQMSA-N
InChi (Click to copy)
InChI=1S/C27H48O2/c1-17(2)7-6-8-18(3)23-16-24(29)25-21-10-9-19-15-20(28)11-13-26(19,4)22(21)12-14-27(23,25)5/h17-25,28-29H,6-16H2,1-5H3/t18-,19+,20+,21-,22+,23-,24-,25-,26+,27-/m1/s1
SMILES (Click to copy)
CC(C)CCC[C@](C)([H])[C@]1([H])[C@]2(C)[C@@]([H])([C@H](O)C1)[C@@]1(CC[C@@]3([H])C[C@@H](O)CC[C@]3(C)[C@@]1([H])CC2)[H]

References

Other Databases

CHEBI ID
61839
PubChem CID
51351806

Calculated Physicochemical Properties

Heavy Atoms 29
Rings 4
Aromatic Rings 0
Rotatable Bonds 5
Van der Waals Molecular Volume 443.80
Topological Polar Surface Area 40.46
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 2
logP 7.01
Molar Refractivity 121.49

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Created at
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Updated at
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