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(-)-(1S,6R)-6-HYDROXY-4-[(2R,4S,6R)-2,4,8-TRIHYDROXY-6-[(4-METHOXYBENZOYL)-OXY]-OCTYL]-CYCLOHEPT-3-EN-1-YL-4-METHOXYBENZOATE

View entire compound with spectra: 1 NMR

(-)-(1S,6R)-6-HYDROXY-4-[(2R,4S,6R)-2,4,8-TRIHYDROXY-6-[(4-METHOXYBENZOYL)-OXY]-OCTYL]-CYCLOHEPT-3-EN-1-YL-4-METHOXYBENZOATE
SpectraBase Compound ID BkhYxb8wgWt
InChI InChI=1S/C31H40O10/c1-38-26-9-4-21(5-10-26)30(36)40-28-8-3-20(16-24(34)18-28)15-23(33)17-25(35)19-29(13-14-32)41-31(37)22-6-11-27(39-2)12-7-22/h3-7,9-12,23-25,28-29,32-35H,8,13-19H2,1-2H3/t23-,24+,25+,28-,29+/m0/s1
InChIKey DMBTZGDPWIXZNM-CXNNCOGXSA-N
Mol Weight 572.7 g/mol
Molecular Formula C31H40O10
Exact Mass 572.262147 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 14W0GAwPDke
Name (-)-(1S,6R)-6-HYDROXY-4-[(2R,4S,6R)-2,4,8-TRIHYDROXY-6-[(4-METHOXYBENZOYL)-OXY]-OCTYL]-CYCLOHEPT-3-EN-1-YL-4-METHOXYBENZOATE
Compound Number 24
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C31H40O10
InChI InChI=1S/C31H40O10/c1-38-26-9-4-21(5-10-26)30(36)40-28-8-3-20(16-24(34)18-28)15-23(33)17-25(35)19-29(13-14-32)41-31(37)22-6-11-27(39-2)12-7-22/h3-7,9-12,23-25,28-29,32-35H,8,13-19H2,1-2H3/t23-,24+,25+,28-,29+/m0/s1
InChIKey DMBTZGDPWIXZNM-CXNNCOGXSA-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 572.653 g/mol
Sample ID 43626
Solvent CDCl3