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VERBENABRASIDE-A;GELSEMIOL-3-O-(4'-TRANS-CAFFEOYL)-BETA-D-GLUCOPYRANOSIDE
SpectraBase Compound ID Kj1nhpEVhlP
InChI InChI=1S/C25H32O12/c1-11-6-17-20(13(11)8-26)14(24(33)35-17)10-34-25-22(32)21(31)23(18(9-27)36-25)37-19(30)5-3-12-2-4-15(28)16(29)7-12/h2-5,7,11,13-14,17-18,20-23,25-29,31-32H,6,8-10H2,1H3/b5-3+/t11-,13+,14-,17-,18+,20-,21+,22+,23+,25+/m0/s1
InChIKey YLXHBUXEDMVNGL-KVWIEXSUSA-N
Mol Weight 524.5 g/mol
Molecular Formula C25H32O12
Exact Mass 524.189376 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DSQBzwDieLC
Name VERBENABRASIDE-A;GELSEMIOL-3-O-(4'-TRANS-CAFFEOYL)-BETA-D-GLUCOPYRANOSIDE
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H32O12
InChI InChI=1S/C25H32O12/c1-11-6-17-20(13(11)8-26)14(24(33)35-17)10-34-25-22(32)21(31)23(18(9-27)36-25)37-19(30)5-3-12-2-4-15(28)16(29)7-12/h2-5,7,11,13-14,17-18,20-23,25-29,31-32H,6,8-10H2,1H3/b5-3+/t11-,13+,14-,17-,18+,20-,21+,22+,23+,25+/m0/s1
InChIKey YLXHBUXEDMVNGL-KVWIEXSUSA-N
Literature Reference Author M.ONO,K.OISHI,H.ABE,C.MASUOKA,M.OKAWA,T.IKEDA,T.NOHARA
Literature Reference Citation CHEM.PHARM.BULL.,54,1421(2006)
Literature Reference DOI 10.1248/cpb.54.1421
Molecular Weight 524.522 g/mol
Sample ID 55252
Solvent CD3OD