1,5-Dimethy-8-[1-(methoxycarbonyl)-1-hydroxyethyl]bicyclo[4.4.0]deca-3-ene-2,7-dione isomer

SpectraBase Compound ID	IA7nKeXq8eI
InChI	InChI=1S/C16H22O5/c1-9-5-6-11(17)15(2)8-7-10(13(18)12(9)15)16(3,20)14(19)21-4/h5-6,9-10,12,20H,7-8H2,1-4H3/t9-,10+,12-,15+,16+/m0/s1
InChIKey	YALXCFHMIDNEDU-JXNBKPOHSA-N Google Search
Mol Weight	294.35 g/mol
Molecular Formula	C16H22O5
Exact Mass	294.146724 g/mol

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SpectraBase Spectrum ID	5Vlo097nHXH
Name	1,5-Dimethy-8-[1-(methoxycarbonyl)-1-hydroxyethyl]bicyclo[4.4.0]deca-3-ene-2,7-dione isomer
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C16H22O5
InChI	InChI=1S/C16H22O5/c1-9-5-6-11(17)15(2)8-7-10(13(18)12(9)15)16(3,20)14(19)21-4/h5-6,9-10,12,20H,7-8H2,1-4H3/t9-,10+,12-,15+,16+/m0/s1
InChIKey	YALXCFHMIDNEDU-JXNBKPOHSA-N
Molecular Weight	294.347 g/mol
SMILES	O[C@]([C@]1(C([C@]2([C@@](C(=O)C=C[C@@]2(C)[H])(CC1)C)[H])=O)[H])(C(=O)OC)C
SPLASH	splash10-004i-8970000000-3e65111c29a91486073e
Source of Spectrum	F-55-7004-10
Synonyms	(R)-2-((2S,4aS,8s,8aR)-4a,8-Dimethyl-1,5-dioxo-1,2,3,4,4a,5,8,8a-octahydro-naphthalen-2-yl)-2-hydroxy-propionic acid methyl ester 4,8-Dioxo-5,9-dimethyl-3-[1'-(methoxycarbonyl)-1'-hydroxyethyl]-1,2,3,4,5,8,9,10-octahydronaphthalene (2R)-2-[(2S,4aS,8S,8aR)-4a,8-dimethyl-1,5-dioxo-3,4,8,8a-tetrahydro-2H-naphthalen-2-yl]-2-hydroxypropanoic acid methyl ester Methyl (2R)-2-[(2S,4aS,8S,8aR)-4a,8-dimethyl-1,5-dioxo-3,4,8,8a-tetrahydro-2H-naphthalen-2-yl]-2-hydroxypropanoate Methyl (2R)-2-[(2S,4aS,8S,8aR)-4a,8-dimethyl-1,5-dioxo-3,4,8,8a-tetrahydro-2H-naphthalen-2-yl]-2-hydroxy-propanoate Methyl (2R)-2-[(2S,4aS,8S,8aR)-4a,8-dimethyl-1,5-bis(oxidanylidene)-3,4,8,8a-tetrahydro-2H-naphthalen-2-yl]-2-oxidanyl-propanoate
Wiley ID	838159