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Leucanthanolide - acetyl derivative
SpectraBase Compound ID LIUPlGJIZWg
InChI InChI=1S/C21H28O7/c1-11(2)19(23)28-17-13(4)9-7-8-12(3)10-16-21(25,14(5)20(24)27-16)18(17)26-15(6)22/h9-11,16-18,25H,5,7-8H2,1-4,6H3/b12-10+,13-9+/t16?,17?,18-,21+/m0/s1
InChIKey KCAOSWZEPNBRQT-IUSGPNOFSA-N
Mol Weight 392.45 g/mol
Molecular Formula C21H28O7
Exact Mass 392.183503 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2GFWVNeee3f
Name Leucanthanolide - acetyl derivative
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H28O7
InChI InChI=1S/C21H28O7/c1-11(2)19(23)28-17-13(4)9-7-8-12(3)10-16-21(25,14(5)20(24)27-16)18(17)26-15(6)22/h9-11,16-18,25H,5,7-8H2,1-4,6H3/b12-10+,13-9+/t16?,17?,18-,21+/m0/s1
InChIKey KCAOSWZEPNBRQT-IUSGPNOFSA-N
Molecular Weight 392.448 g/mol
SMILES O[C@@]12C(C(=O)OC2\C=C\(CC\C=C\(C([C@@]1(OC(=O)C)[H])OC(=O)C(C)C)C)C)=C
SPLASH splash10-0006-9000000000-8366d493386de1f0137f
Source of Spectrum X2-49-317-3
Synonyms 5,9-Dimethyl-1-hydroxy-2-(acetoxy)-10-(isopropanoyloxy)-2'-oxo-3'-methylene-2',3'-dihydrofuro[4',5'-2,3]cyclodeca-4,8-diene
Wiley ID 1601882