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6-O-CIS-PARA-COUMAROYL-8-O-ACETYL-SHANZHISIDE-METHYLESTER
SpectraBase Compound ID CoZdsrMkfJO
InChI InChI=1S/C28H34O14/c1-13(30)42-28(2)10-17(39-19(32)9-6-14-4-7-15(31)8-5-14)20-16(25(36)37-3)12-38-26(21(20)28)41-27-24(35)23(34)22(33)18(11-29)40-27/h4-9,12,17-18,20-24,26-27,29,31,33-35H,10-11H2,1-3H3/b9-6-/t17-,18+,20+,21-,22+,23-,24+,26+,27-,28+/m1/s1
InChIKey VWZXXWQOKCWKSB-UTIDNLJNSA-N
Mol Weight 594.6 g/mol
Molecular Formula C28H34O14
Exact Mass 594.194856 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 33WfYKifOEO
Name 6-O-CIS-PARA-COUMAROYL-8-O-ACETYL-SHANZHISIDE-METHYLESTER
Compound Number 251
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H34O14
InChI InChI=1S/C28H34O14/c1-13(30)42-28(2)10-17(39-19(32)9-6-14-4-7-15(31)8-5-14)20-16(25(36)37-3)12-38-26(21(20)28)41-27-24(35)23(34)22(33)18(11-29)40-27/h4-9,12,17-18,20-24,26-27,29,31,33-35H,10-11H2,1-3H3/b9-6-/t17-,18+,20+,21-,22+,23-,24+,26+,27-,28+/m1/s1
InChIKey VWZXXWQOKCWKSB-UTIDNLJNSA-N
Literature Reference Author B.DINDA,S.DEBNATH,Y.HARIGAYA
Literature Reference Citation CHEM.PHARM.BULL.,55,159(2007)
Literature Reference DOI 10.1248/cpb.55.159
Molecular Weight 594.570 g/mol
Sample ID 38047
Solvent CD3OD