Structure Database (LMSD)

Common Name
Ficaprenol 11
Systematic Name
3,7,11,15,19,23,27,31,35,39,43-undecamethyltetratetraconta-2Z,6Z,1Z0,14Z,18Z,22Z,26Z,30E,34E,38E,42-undecaen-1-ol
Synonyms
LM ID
LMPR01080055
Status
Active
Exact Mass
Calculate m/z
766.699165
Formula
C55H90O
Show lipids differing only in stereochemistry/bond geometry
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MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

Category
Main Class
Sub Class
Prenol Lipids [PR]
Isoprenoids [PR01]
Polyterpenes [PR0108]

String Representations

InChiKey (Click to copy)
TXKJNHBRVLCYFX-RTRZQXHFSA-N
InChi (Click to copy)
InChI=1S/C55H90O/c1-45(2)23-13-24-46(3)25-14-26-47(4)27-15-28-48(5)29-16-30-49(6)31-17-32-50(7)33-18-34-51(8)35-19-36-52(9)37-20-38-53(10)39-21-40-54(11)41-22-42-55(12)43-44-56/h23,25,27,29,31,33,35,37,39,41,43,56H,13-22,24,26,28,30,32,34,36,38,40,42,44H2,1-12H3/b46-25+,47-27+,48-29+,49-31-,50-33-,51-35-,52-37-,53-39-,54-41-,55-43-
SMILES (Click to copy)
C(/C=C(/C)\CC/C=C(/C)\CC/C=C(/C)\CC/C=C(/C)\CC/C=C(/C)\CC/C=C(/C)\CC/C=C(/C)\CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/C)O

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Ficus elastica (#182112)
Magnoliopsida (#3398)
Structural characterization of ficaprenol-11 by 13C nuclear magnetic resonance.,
Biochem J, 1979
Pubmed ID: 534479

Other Databases

PubChem CID
11411688

Calculated Physicochemical Properties

Heavy Atoms 56
Rings
Aromatic Rings
Rotatable Bonds 31
Van der Waals Molecular Volume 939.81
Topological Polar Surface Area 20.23
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 1
logP 18.49
Molar Refractivity 256.92

Admin

Created at
17th Dec 2021
Updated at
17th Dec 2021