(1R*,5S*,8S*)-1,5-dimethyl-8-[(1E)-3-oxobut-1-en-1-yl]-6-oxabicyclo[3.2.1]octan-3-one

SpectraBase Compound ID	3wrWVOiDOny
InChI	InChI=1S/C13H18O3/c1-9(14)4-5-11-12(2)6-10(15)7-13(11,3)16-8-12/h4-5,11H,6-8H2,1-3H3/b5-4+/t11-,12-,13-/m0/s1
InChIKey	LYMNQFZEIGCRGT-DFIDTIBPSA-N Google Search
Mol Weight	222.28 g/mol
Molecular Formula	C13H18O3
Exact Mass	222.125594 g/mol

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SpectraBase Spectrum ID	GZcNJdebVkD
Name	(1R,5S,8S*)-1,5-dimethyl-8-[(1E)-3-oxobut-1-en-1-yl]-6-oxabicyclo[3.2.1]octan-3-one
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C13H18O3
InChI	InChI=1S/C13H18O3/c1-9(14)4-5-11-12(2)6-10(15)7-13(11,3)16-8-12/h4-5,11H,6-8H2,1-3H3/b5-4+/t11-,12-,13-/m0/s1
InChIKey	LYMNQFZEIGCRGT-DFIDTIBPSA-N
Molecular Weight	222.284 g/mol
SMILES	C1[C@]2(C)[C@](\C=C\C(C)=O)([C@](OC2)(C)CC1=O)[H]
SPLASH	splash10-03di-0900000000-77d6dd408bd102f03664
Source of Spectrum	A1-10-449/SMS12-1
Synonyms	Annuionone B (1R,5S,8S)-1,5-dimethyl-8-((E)-3-oxobut-1-en-1-yl)-6-oxabicyclo[3.2.1]octan-3-one
Wiley ID	1759009