Structure database (LMSD)

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LM IDLMFA07040138
Common Name-
Systematic Name3R-hydroxy-4R-decanolide
Synonyms-
Exact Mass
186.1256 (neutral)    Calculate m/z:
FormulaC10H18O3
CategoryFatty Acyls [FA]
Main ClassFatty esters [FA07]
Sub ClassLactones [FA0704]
AbbrevFA 10:1;O
PubChem CID11298375
InChIKeyHFYZTGBQDXZSHJ-RKDXNWHRSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C10H18O3/c1-2-3-4-5-6-9-8(11)7-10(12)13-9/h8-9,11H,2-7H2,1H3/t8-,9-/m1/s1
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SMILES
[C@@H]1(CCCCCC)[C@H](O)CC(=O)O1
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StatusActive
ReferencesPredominant accumulation of a 3-hydroxy-γ-decalactone in the male rectal gland complex of the Japanese orange fly, Bactrocera tsuneonis.
Biosci Biotechnol Biochem, 2020
DOI: 10.1080/09168451.2019.1664892
PMID: 31516064
Calculated physicochemical properties (?):
 Heavy Atoms13Rings1Aromatic Rings0Rotatable Bonds5
 van der Waals
Molecular Volume
192.93Topological Polar
Surface Area
48.60Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
3
 logP2.21Molar
Refractivity
50.29