Structure Database (LMSD)

Common Name
Lophenol
Systematic Name
4α-methyl-cholest-7-en-3β-ol
Synonyms
LM ID
LMST01010094
Status
Active
Exact Mass
Calculate m/z
400.370515
Formula
Abbrev


Download as...
MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

String Representations

InChiKey (Click to copy)
LMYZQUNLYGJIHI-SPONXPENSA-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/h10,18-20,22-26,29H,7-9,11-17H2,1-6H3/t19-,20+,22-,23+,24+,25+,26+,27-,28+/m1/s1
SMILES (Click to copy)
C1[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@]([H])([C@]([H])(C)CCCC(C)C)CC[C@@]4([H])C3=CC[C@@]2([H])[C@H](C)[C@@H](O)C1

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Lophocereus schottii (#153875)
Magnoliopsida (#3398)
The Neutral Constituents of the Cactus Lophocereus schottii. The Structure of Lophenol--4α-Methyl-Δ7-cholesten-3β-ol--A Link in Sterol Biogenesis,
J Am Chem Soc, 1958

Other Databases

KEGG ID
HMDB ID
CHEBI ID
LIPIDBANK ID
SST9076
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 7.92
Molar Refractivity 124.11

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Created at
-
Updated at
25th Jan 2022