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(+)-#22;(ALPHA-S,1S,3S,5R,7R)-5-ACETOXY-7-[[(4S,6R)-6-ACETOXY-4-[(4-METHOXYBENZOYL)-OXY]-CYCLOHEPT-1-EN-1-YL]-METHYL]-3-[(4-METHOXYBENZOYL)-OXY-7-HYDROX

View entire compound with spectra: 2 NMR

(+)-#22;(ALPHA-S,1S,3S,5R,7R)-5-ACETOXY-7-[[(4S,6R)-6-ACETOXY-4-[(4-METHOXYBENZOYL)-OXY]-CYCLOHEPT-1-EN-1-YL]-METHYL]-3-[(4-METHOXYBENZOYL)-OXY-7-HYDROX
SpectraBase Compound ID FIKIPPfaGu4
InChI InChI=1S/C45H49F3O14/c1-27(49)58-36-21-29(11-16-35(22-36)60-40(51)30-12-17-33(55-3)18-13-30)25-43(54)26-38(59-28(2)50)23-37(61-41(52)31-14-19-34(56-4)20-15-31)24-39(43)62-42(53)44(57-5,45(46,47)48)32-9-7-6-8-10-32/h6-15,17-20,35-39,54H,16,21-26H2,1-5H3/t35-,36+,37-,38+,39-,43+,44+/m0/s1
InChIKey ADEOULFRIBHATC-IQBRWNGOSA-N
Mol Weight 870.9 g/mol
Molecular Formula C45H49F3O14
Exact Mass 870.307441 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8yR7yyebr9a
Name (+)-#22;(ALPHA-S,1S,3S,5R,7R)-5-ACETOXY-7-[[(4S,6R)-6-ACETOXY-4-[(4-METHOXYBENZOYL)-OXY]-CYCLOHEPT-1-EN-1-YL]-METHYL]-3-[(4-METHOXYBENZOYL)-OXY-7-HYDROX
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C45H49F3O14
InChI InChI=1S/C45H49F3O14/c1-27(49)58-36-21-29(11-16-35(22-36)60-40(51)30-12-17-33(55-3)18-13-30)25-43(54)26-38(59-28(2)50)23-37(61-41(52)31-14-19-34(56-4)20-15-31)24-39(43)62-42(53)44(57-5,45(46,47)48)32-9-7-6-8-10-32/h6-15,17-20,35-39,54H,16,21-26H2,1-5H3/t35-,36+,37-,38+,39-,43+,44+/m0/s1
InChIKey ADEOULFRIBHATC-IQBRWNGOSA-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 870.871 g/mol
Sample ID 43624
Solvent CDCl3