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2'-O-ACETYL-4'-O-TRANS-(PARA-COUMAROYL)-SWERTIAMARIN
SpectraBase Compound ID Ae6m7rVxznZ
InChI InChI=1S/C27H30O13/c1-3-17-25(36-13-18-24(33)35-11-10-27(17,18)34)40-26-23(37-14(2)29)21(32)22(19(12-28)38-26)39-20(31)9-6-15-4-7-16(30)8-5-15/h3-9,13,17,19,21-23,25-26,28,30,32,34H,1,10-12H2,2H3/b9-6+/t17-,19-,21+,22-,23-,25-,26+,27+/m0/s1
InChIKey YZBJKHZNDVUYIY-YFNFYPOSSA-N
Mol Weight 562.52 g/mol
Molecular Formula C27H30O13
Exact Mass 562.168641 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7Nm6vYwOPh4
Name 2'-O-ACETYL-4'-O-TRANS-(PARA-COUMAROYL)-SWERTIAMARIN
Compound Number 58
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H30O13
InChI InChI=1S/C27H30O13/c1-3-17-25(36-13-18-24(33)35-11-10-27(17,18)34)40-26-23(37-14(2)29)21(32)22(19(12-28)38-26)39-20(31)9-6-15-4-7-16(30)8-5-15/h3-9,13,17,19,21-23,25-26,28,30,32,34H,1,10-12H2,2H3/b9-6+/t17-,19-,21+,22-,23-,25-,26+,27+/m0/s1
InChIKey YZBJKHZNDVUYIY-YFNFYPOSSA-N
Literature Reference Author B.DINDA,S.DEBNATH,Y.HARIGAYA
Literature Reference Citation CHEM.PHARM.BULL.,55,689(2007)
Literature Reference DOI 10.1248/cpb.55.689
Molecular Weight 562.527 g/mol
Sample ID 37470
Solvent CD3OD