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TRICALYSIOSIDE-X;TRICALYSIOSIDE-T-4'-O-SULFATE
SpectraBase Compound ID 2JqMzqoXhKF
InChI InChI=1S/C26H44O12S/c1-23(13-36-21-19(30)18(29)20(15(11-27)37-21)38-39(33,34)35)7-3-8-24(2)16(23)6-9-25-10-14(4-5-17(24)25)26(32,12-28)22(25)31/h14-22,27-32H,3-13H2,1-2H3,(H,33,34,35)/t14-,15+,16-,17+,18+,19+,20+,21+,22-,23+,24-,25-,26+/m1/s1
InChIKey HJEHDEXPBQDTOL-CAFFQYJFSA-N
Mol Weight 580.7 g/mol
Molecular Formula C26H44O12S
Exact Mass 580.255348 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LcB7fom1VsZ
Name TRICALYSIOSIDE-X;TRICALYSIOSIDE-T-4'-O-SULFATE
Compound Number 8
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C26H44O12S
InChI InChI=1S/C26H44O12S/c1-23(13-36-21-19(30)18(29)20(15(11-27)37-21)38-39(33,34)35)7-3-8-24(2)16(23)6-9-25-10-14(4-5-17(24)25)26(32,12-28)22(25)31/h14-22,27-32H,3-13H2,1-2H3,(H,33,34,35)/t14-,15+,16-,17+,18+,19+,20+,21+,22-,23+,24-,25-,26+/m1/s1
InChIKey HJEHDEXPBQDTOL-CAFFQYJFSA-N
Literature Reference Author J.SHITAMOTO,S.SUGIMOTO,K.MATSUNAMI,H.OTSUKA,T.SHINZATO,Y.TAK EDA
Literature Reference Citation CHEM.PHARM.BULL.,59,72(2011)
Literature Reference DOI 10.1248/cpb.59.72
Molecular Weight 580.688 g/mol
Sample ID 2622
Solvent C5D5N