Structure Database (LMSD)

H HO H H
Common Name
24,25-dihydrolanosterol
Systematic Name
5α-lanost-8-en-3β-ol
Synonyms
  • 24-dihydrolanosterol
LM ID
LMST01010087
Formula
C30H52O
Exact Mass
Calculate m/z
428.401815
Sum Composition
ST 30:1;O
Status
Active
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Main

Classification

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

String Representations

InChiKey (Click to copy)
MBZYKEVPFYHDOH-BQNIITSRSA-N
InChi (Click to copy)
InChI=1S/C30H52O/c1-20(2)10-9-11-21(3)22-14-18-30(8)24-12-13-25-27(4,5)26(31)16-17-28(25,6)23(24)15-19-29(22,30)7/h20-22,25-26,31H,9-19H2,1-8H3/t21-,22-,25+,26+,28-,29-,30+/m1/s1
SMILES (Click to copy)
C1[C@]2(C)C3CC[C@]4(C)[C@@]([H])([C@]([H])(C)CCCC(C)C)CC[C@@]4(C)C=3CC[C@@]2([H])C(C)(C)[C@@H](O)C1

References

Other Databases

KEGG ID
C05109
HMDB ID
HMDB0006839
CHEBI ID
28113
LIPIDBANK ID
SST9114
PubChem CID
440560
SwissLipids ID
SLM:000000467

Calculated Physicochemical Properties

Heavy Atoms 31
Rings 4
Aromatic Rings 0
Rotatable Bonds 5
Van der Waals Molecular Volume 484.27
Topological Polar Surface Area 20.23
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 1
logP 8.85
Molar Refractivity 133.42

Reactions

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Reactions graph legend

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Created at
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Updated at
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