Structure Database (LMSD)

Common Name
10-methyl-6R-undecanolide
Systematic Name
10-methyl-6R-undecanolide
Synonyms
LM ID
LMFA07040127
Status
Active
Exact Mass
Calculate m/z
198.16198
Formula
C12H22O2
Abbrev
FA 12:1
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]
Fatty esters [FA07]
Lactones [FA0704]

String Representations

InChiKey (Click to copy)
UBMFFGFEUOLSRP-LLVKDONJSA-N
InChi (Click to copy)
InChI=1S/C12H22O2/c1-10(2)6-5-8-11-7-3-4-9-12(13)14-11/h10-11H,3-9H2,1-2H3/t11-/m1/s1
SMILES (Click to copy)
C1CC(=O)O[C@@H](CCCC(C)C)CC1

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Streptomyces sp. (#1931)
Actinomycetia (#1760)
Novel caprolactones from a marine streptomycete.,
J Nat Prod, 2004
Pubmed ID: 15043417

Other Databases

PubChem CID
10104200

Calculated Physicochemical Properties

Heavy Atoms 14
Rings 1
Aromatic Rings 0
Rotatable Bonds 4
Van der Waals Molecular Volume 218.74
Topological Polar Surface Area 28.37
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 3.58
Molar Refractivity 57.55

Admin

Created at
28th Aug 2020
Updated at
28th Jan 2021