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8-O-ACETYL-6-O-TRANS-PARA-COUMAROYLSHANZHISIDE
SpectraBase Compound ID Gc2QALmY7d
InChI InChI=1S/C27H32O14/c1-12(29)41-27(2)9-16(38-18(31)8-5-13-3-6-14(30)7-4-13)19-15(24(35)36)11-37-25(20(19)27)40-26-23(34)22(33)21(32)17(10-28)39-26/h3-8,11,16-17,19-23,25-26,28,30,32-34H,9-10H2,1-2H3,(H,35,36)/b8-5+/t16-,17+,19+,20-,21+,22-,23+,25+,26-,27+/m1/s1
InChIKey XORDQNURMWOOGO-PICJIRJBSA-N
Mol Weight 580.5 g/mol
Molecular Formula C27H32O14
Exact Mass 580.179206 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5wKVImhyIXt
Name 8-O-ACETYL-6-O-TRANS-PARA-COUMAROYL-SHANZHISIDE
Compound Number 182
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H32O14
InChI InChI=1S/C27H32O14/c1-12(29)41-27(2)9-16(38-18(31)8-5-13-3-6-14(30)7-4-13)19-15(24(35)36)11-37-25(20(19)27)40-26-23(34)22(33)21(32)17(10-28)39-26/h3-8,11,16-17,19-23,25-26,28,30,32-34H,9-10H2,1-2H3,(H,35,36)/b8-5+/t16-,17+,19+,20-,21+,22-,23+,25+,26-,27+/m1/s1
InChIKey XORDQNURMWOOGO-PICJIRJBSA-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 580.543 g/mol
Sample ID 37978
Solvent CD3OD