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4'-O-TRANS-PARA-COUMAROYL-7-BETA-MORRONISIDE
SpectraBase Compound ID FkelS7XRdEH
InChI InChI=1S/C26H32O13/c1-12-20-15(9-19(30)36-12)16(24(33)34-2)11-35-25(20)39-26-22(32)21(31)23(17(10-27)37-26)38-18(29)8-5-13-3-6-14(28)7-4-13/h3-8,11-12,15,17,19-23,25-28,30-32H,9-10H2,1-2H3/b8-5+/t12-,15?,17-,19+,20?,21-,22-,23-,25-,26+/m0/s1
InChIKey MTUMMDQRYQYNPV-GGUBWFPDSA-N
Mol Weight 552.5 g/mol
Molecular Formula C26H32O13
Exact Mass 552.184291 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1df9wbN7jp
Name 4'-O-TRANS-PARA-COUMAROYL-7-BETA-MORRONISIDE
Compound Number 171
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C26H32O13
InChI InChI=1S/C26H32O13/c1-12-20-15(9-19(30)36-12)16(24(33)34-2)11-35-25(20)39-26-22(32)21(31)23(17(10-27)37-26)38-18(29)8-5-13-3-6-14(28)7-4-13/h3-8,11-12,15,17,19-23,25-28,30-32H,9-10H2,1-2H3/b8-5+/t12-,15?,17-,19+,20?,21-,22-,23-,25-,26+/m0/s1
InChIKey MTUMMDQRYQYNPV-GGUBWFPDSA-N
Literature Reference Author C.A.BOROS,F.R.STERMITZ
Literature Reference Citation J.NAT.PROD.,54,1173(1991)
Literature Reference DOI 10.1021/np50077a001
Molecular Weight 552.532 g/mol
Solvent CD3OD
Source File Reference UWCS4542