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6'-O-TRANS-P-COUMAROYL-8-EPIKINGISIDE
SpectraBase Compound ID 9sVmlDZvJar
InChI InChI=1S/C26H30O13/c1-12-20-15(9-19(29)37-12)16(24(33)34-2)10-36-25(20)39-26-23(32)22(31)21(30)17(38-26)11-35-18(28)8-5-13-3-6-14(27)7-4-13/h3-8,10,12,15,17,20-23,25-27,30-32H,9,11H2,1-2H3/b8-5+/t12-,15?,17-,20?,21-,22+,23-,25+,26+/m1/s1
InChIKey ICIBBGBIPKDVNG-QEBHISELSA-N
Mol Weight 550.51 g/mol
Molecular Formula C26H30O13
Exact Mass 550.168641 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 729pmViWKq5
Name 6'-O-TRANS-P-COUMAROYL-8-EPIKINGISIDE
Compound Number 1A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C26H30O13
InChI InChI=1S/C26H30O13/c1-12-20-15(9-19(29)37-12)16(24(33)34-2)10-36-25(20)39-26-23(32)22(31)21(30)17(38-26)11-35-18(28)8-5-13-3-6-14(27)7-4-13/h3-8,10,12,15,17,20-23,25-27,30-32H,9,11H2,1-2H3/b8-5+/t12-,15?,17-,20?,21-,22+,23-,25+,26+/m1/s1
InChIKey ICIBBGBIPKDVNG-QEBHISELSA-N
Literature Reference Author H.LOPEZ,J.A.PEREZ,J.M.HERNANDEZ,J.TRUJILLO
Literature Reference Citation J.NAT.PROD.,60,1334(1997)
Literature Reference DOI 10.1021/np970272o
Molecular Weight 550.516 g/mol
Solvent CD3OD
Source File Reference WANG2442