Structure Database (LMSD)

HO OH
Common Name
5-((5Z,8Z,11Z)-heptadeca-5,8,11-trien-1-yl)resorcinol
Systematic Name
5-((5Z,8Z,11Z)-heptadeca-5,8,11-trien-1-yl)benzene-1,3-diol
Synonyms
LM ID
LMPK15030029
Formula
C23H34O2
Exact Mass
Calculate m/z
342.25588
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)
YABYVJPKSFTCBG-QNEBEIHSSA-N
InChi (Click to copy)
InChI=1S/C23H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-18-22(24)20-23(25)19-21/h6-7,9-10,12-13,18-20,24-25H,2-5,8,11,14-17H2,1H3/b7-6-,10-9-,13-12-
SMILES (Click to copy)
C1(O)C=C(CCCC/C=C\C/C=C\C/C=C\CCCCC)C=C(O)C=1

References

Other Databases

PubChem CID
23426966

Calculated Physicochemical Properties

Heavy Atoms 25
Rings 1
Aromatic Rings 1
Rotatable Bonds 13
Van der Waals Molecular Volume 384.94
Topological Polar Surface Area 40.46
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 2
logP 6.84
Molar Refractivity 108.12

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Created at
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Updated at
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