Structure Database (LMSD)

Common Name
4alpha-methylcholest-8-en-3beta-ol
Systematic Name
4α-methyl-5α-cholest-8-en-3β-ol
Synonyms
  • 4alpha-Methylcholesta-8-en-3beta-ol
LM ID
LMST01010197
Status
Active
Exact Mass
Calculate m/z
400.370515
Formula
Abbrev


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MDLMOL SDF CSV TSV
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Main

Classification

String Representations

InChiKey (Click to copy)
SCEZIHJVTBQOLS-YIJYGBTNSA-N
InChi (Click to copy)
InChI=1S/C28H48O/c1-18(2)8-7-9-19(3)22-12-13-24-21-10-11-23-20(4)26(29)15-17-28(23,6)25(21)14-16-27(22,24)5/h18-20,22-24,26,29H,7-17H2,1-6H3/t19-,20+,22-,23+,24+,26+,27-,28+/m1/s1
SMILES (Click to copy)
C1C[C@H](O)[C@@H](C)[C@]2([H])CCC3=C([C@]21C)CC[C@]1(C)[C@@]([H])([C@H](C)CCCC(C)C)CC[C@]13[H]

References

Other Databases

KEGG ID
HMDB ID
CHEBI ID
PubChem CID
SwissLipids ID

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 8.07
Molar Refractivity 124.18

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Created at
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Updated at
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