Structure Database (LMSD)

OH HO
Common Name
5-heptacosylresorcinol
Systematic Name
5-heptacosylbenzene-1,3-diol
Synonyms
LM ID
LMPK15030013
Formula
C33H60O2
Exact Mass
Calculate m/z
488.45933
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Phenolic lipids [PK15]
Alkyl resorcinols and derivatives [PK1503]

String Representations

InChiKey (Click to copy)
LNHZINSBVLHRFL-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C33H60O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-31-28-32(34)30-33(35)29-31/h28-30,34-35H,2-27H2,1H3
SMILES (Click to copy)
C1(O)C=C(CCCCCCCCCCCCCCCCCCCCCCCCCCC)C=C(O)C=1

References

Other Databases

PubChem CID
86043585

Calculated Physicochemical Properties

Heavy Atoms 35
Rings 1
Aromatic Rings 1
Rotatable Bonds 26
Van der Waals Molecular Volume 565.86
Topological Polar Surface Area 40.46
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 2
logP 11.41
Molar Refractivity 154.57

Admin

Created at
-
Updated at
-