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#23;(-)-(1S,6R)-6-HYDROXY-4-[[(1R,2S,4S,6R)-1,2,6-TRIHYDROXY-4-[(4-METHOXYBENZOYL)-OXY]-CYCLOHEPT-1-YL]-METHYL]-CYCLOHEPT-3-EN-1-YL-4-METHOXYBENZOATE

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#23;(-)-(1S,6R)-6-HYDROXY-4-[[(1R,2S,4S,6R)-1,2,6-TRIHYDROXY-4-[(4-METHOXYBENZOYL)-OXY]-CYCLOHEPT-1-YL]-METHYL]-CYCLOHEPT-3-EN-1-YL-4-METHOXYBENZOATE
SpectraBase Compound ID 1T0iiq2qajX
InChI InChI=1S/C31H38O10/c1-38-24-9-4-20(5-10-24)29(35)40-26-8-3-19(13-22(32)14-26)17-31(37)18-23(33)15-27(16-28(31)34)41-30(36)21-6-11-25(39-2)12-7-21/h3-7,9-12,22-23,26-28,32-34,37H,8,13-18H2,1-2H3/t22-,23-,26+,27+,28+,31-/m1/s1
InChIKey PURHZQWUSDOLDW-WUURQHRXSA-N
Mol Weight 570.6 g/mol
Molecular Formula C31H38O10
Exact Mass 570.246497 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 59en4t4VXqd
Name #23;(-)-(1S,6R)-6-HYDROXY-4-[[(1R,2S,4S,6R)-1,2,6-TRIHYDROXY-4-[(4-METHOXYBENZOYL)-OXY]-CYCLOHEPT-1-YL]-METHYL]-CYCLOHEPT-3-EN-1-YL-4-METHOXYBENZOATE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C31H38O10
InChI InChI=1S/C31H38O10/c1-38-24-9-4-20(5-10-24)29(35)40-26-8-3-19(13-22(32)14-26)17-31(37)18-23(33)15-27(16-28(31)34)41-30(36)21-6-11-25(39-2)12-7-21/h3-7,9-12,22-23,26-28,32-34,37H,8,13-18H2,1-2H3/t22-,23-,26+,27+,28+,31-/m1/s1
InChIKey PURHZQWUSDOLDW-WUURQHRXSA-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 570.637 g/mol
Sample ID 43625
Solvent CDCl3