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(-)-#21;(1S,6R)-6-ACETOXY-[[(1'R,2'S,4'R,6'S)-6-ACETOXY-1,2-DIHYDROXY-4-[(4-METHOXYBENZOYL)-OXY]-CYCLOHEPT-1-YL]-METHYL]-CYCLOHEPT-3-EN-1-YL-4-METHOXYBE

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(-)-#21;(1S,6R)-6-ACETOXY-[[(1'R,2'S,4'R,6'S)-6-ACETOXY-1,2-DIHYDROXY-4-[(4-METHOXYBENZOYL)-OXY]-CYCLOHEPT-1-YL]-METHYL]-CYCLOHEPT-3-EN-1-YL-4-METHOXYBE
SpectraBase Compound ID A4zpoiUycRx
InChI InChI=1S/C35H42O12/c1-21(36)44-29-15-23(5-10-28(16-29)46-33(39)24-6-11-26(42-3)12-7-24)19-35(41)20-31(45-22(2)37)17-30(18-32(35)38)47-34(40)25-8-13-27(43-4)14-9-25/h5-9,11-14,28-32,38,41H,10,15-20H2,1-4H3/t28-,29+,30-,31+,32-,35+/m0/s1
InChIKey KKZDLKRSQCJGCU-SVQABHTGSA-N
Mol Weight 654.7 g/mol
Molecular Formula C35H42O12
Exact Mass 654.267627 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CFE68uAuxXT
Name (-)-#21;(1S,6R)-6-ACETOXY-[[(1'R,2'S,4'R,6'S)-6-ACETOXY-1,2-DIHYDROXY-4-[(4-METHOXYBENZOYL)-OXY]-CYCLOHEPT-1-YL]-METHYL]-CYCLOHEPT-3-EN-1-YL-4-METHOXYBE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C35H42O12
InChI InChI=1S/C35H42O12/c1-21(36)44-29-15-23(5-10-28(16-29)46-33(39)24-6-11-26(42-3)12-7-24)19-35(41)20-31(45-22(2)37)17-30(18-32(35)38)47-34(40)25-8-13-27(43-4)14-9-25/h5-9,11-14,28-32,38,41H,10,15-20H2,1-4H3/t28-,29+,30-,31+,32-,35+/m0/s1
InChIKey KKZDLKRSQCJGCU-SVQABHTGSA-N
Literature Reference Author S.GERBER-LEMAIRE,A.T.CARMONA,K.T.MEILERT,P.VOGEL
Literature Reference Citation EUR.J.ORG.CHEM.,891(2006)
Molecular Weight 654.711 g/mol
Sample ID 43623
Solvent CDCl3