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(2S,3S)-2,3-dimethyloxirane-2-carboxylic acid [(3aS,4R,6R,7S,10E,11aS)-2,5-diketo-7-methoxy-6,10-dimethyl-3-methylene-4,6,7,8,9,11a-hexahydro-3aH-cyclodeca[d]furan-4-yl] ester

View entire compound with spectra: 1 NMR

(2S,3S)-2,3-dimethyloxirane-2-carboxylic acid [(3aS,4R,6R,7S,10E,11aS)-2,5-diketo-7-methoxy-6,10-dimethyl-3-methylene-4,6,7,8,9,11a-hexahydro-3aH-cyclodeca[d]furan-4-yl] ester
SpectraBase Compound ID 9RrKQxGQKsS
InChI InChI=1S/C21H28O7/c1-10-7-8-14(25-6)11(2)17(22)18(27-20(24)21(5)13(4)28-21)16-12(3)19(23)26-15(16)9-10/h9,11,13-16,18H,3,7-8H2,1-2,4-6H3/b10-9+/t11-,13+,14+,15+,16+,18-,21+/m1/s1
InChIKey JVPXFGCRXBYZOY-OCBQJHQKSA-N
Mol Weight 392.45 g/mol
Molecular Formula C21H28O7
Exact Mass 392.183503 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LV7CCnYMIn8
Name (2S,3S)-2,3-dimethyloxirane-2-carboxylic acid [(3aS,4R,6R,7S,10E,11aS)-2,5-diketo-7-methoxy-6,10-dimethyl-3-methylene-4,6,7,8,9,11a-hexahydro-3aH-cyclodeca[d]furan-4-yl] ester
Compound Number 13
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H28O7
InChI InChI=1S/C21H28O7/c1-10-7-8-14(25-6)11(2)17(22)18(27-20(24)21(5)13(4)28-21)16-12(3)19(23)26-15(16)9-10/h9,11,13-16,18H,3,7-8H2,1-2,4-6H3/b10-9+/t11-,13+,14+,15+,16+,18-,21+/m1/s1
InChIKey JVPXFGCRXBYZOY-OCBQJHQKSA-N
Literature Reference Author S.MUELLER,R.MURILLO,V.CASTRO,V.BRECHT,I.MERFORT
Literature Reference Citation J.NAT.PROD.,67,622(2004)
Literature Reference DOI 10.1021/np034072q
Molecular Weight 392.449 g/mol
Solvent CDCl3
Source File Reference UWMZ5663