Structure Database (LMSD)

Common Name
6R,7S-epoxy-3Z,9Z-heptadecadiene
Systematic Name
6R,7S-epoxy-3Z,9Z-heptadecadiene
Synonyms
LM ID
LMFA12000276
Status
Active
Exact Mass
Calculate m/z
250.229665
Formula
C17H30O
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
Fatty Acyls [FA]
Oxygenated hydrocarbons [FA12]

String Representations

InChiKey (Click to copy)
IRQMBAZFZUBVIJ-MZMIJAFZSA-N
InChi (Click to copy)
InChI=1S/C17H30O/c1-3-5-7-8-9-10-11-13-15-17-16(18-17)14-12-6-4-2/h6,11-13,16-17H,3-5,7-10,14-15H2,1-2H3/b12-6-,13-11-/t16-,17+/m1/s1
SMILES (Click to copy)
CC/C=C\C[C@H]1O[C@H]1C/C=C\CCCCCCC

References

Comments
Pherobase Semiochemicals

Other Databases

PubChem CID
56936242

Calculated Physicochemical Properties

Heavy Atoms 18
Rings 1
Aromatic Rings 0
Rotatable Bonds 11
Van der Waals Molecular Volume 293.81
Topological Polar Surface Area 12.53
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 1
logP 5.99
Molar Refractivity 80.87

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Updated at
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