Structure database (LMSD)

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LM IDLMPK04000034
Common Name10-Deoxymethynolide
Systematic Name-
Synonyms-
Exact Mass
296.1988 (neutral)    Calculate m/z:
FormulaC17H28O4
CategoryPolyketides [PK]
Main ClassMacrolides and lactone polyketides [PK04]
Sub Class-
PubChem CID5282031
KEGG IDC11993
InChIKeyNZUJVBSYQXETNF-PQWITYJESA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C17H28O4/c1-6-15-10(2)7-8-14(18)11(3)9-12(4)16(19)13(5)17(20)21-15/h7-8
,10-13,15-16,19H,6,9H2,1-5H3/b8-7+/t10-,11-,12+,13-,15-,16+/m1/s1
SMILES[C@H]1([C@@H](C)C(=O)O[C@H](CC)[C@H](C)C=CC([C@H](C)C[C@@H]1C)=O)O
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms21Rings1Aromatic Rings0Rotatable Bonds1
 van der Waals
Molecular Volume
317.54Topological Polar
Surface Area
65.67Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
4
 logP3.32Molar
Refractivity
82.62