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6''-O-(7,8-DIHYDRO-CAFFEOYL)-ALPHA,BETA-DIHYDRO-RHAPONTICIN

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6''-O-(7,8-DIHYDRO-CAFFEOYL)-ALPHA,BETA-DIHYDRO-RHAPONTICIN
SpectraBase Compound ID GoOUFq2FxNo
InChI InChI=1S/C30H34O12/c1-39-24-8-5-16(13-23(24)34)2-3-18-10-19(31)14-20(11-18)41-30-29(38)28(37)27(36)25(42-30)15-40-26(35)9-6-17-4-7-21(32)22(33)12-17/h4-5,7-8,10-14,25,27-34,36-38H,2-3,6,9,15H2,1H3/t25-,27-,28+,29-,30-/m0/s1
InChIKey CWNGTSRPGSUPEU-PAQODBCHSA-N
Mol Weight 586.6 g/mol
Molecular Formula C30H34O12
Exact Mass 586.205027 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3R9NF9aD87T
Name 6''-O-(7,8-DIHYDRO-CAFFEOYL)-ALPHA,BETA-DIHYDRO-RHAPONTICIN
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C30H34O12
InChI InChI=1S/C30H34O12/c1-39-24-8-5-16(13-23(24)34)2-3-18-10-19(31)14-20(11-18)41-30-29(38)28(37)27(36)25(42-30)15-40-26(35)9-6-17-4-7-21(32)22(33)12-17/h4-5,7-8,10-14,25,27-34,36-38H,2-3,6,9,15H2,1H3/t25-,27-,28+,29-,30-/m0/s1
InChIKey CWNGTSRPGSUPEU-PAQODBCHSA-N
Literature Reference Author C.ZIDORN,S.GRASS,E.P.ELLMERER,K.H.ONGANIA,H.STUPPNER
Literature Reference Citation PHYTOCHEM.,67,2182(2006)
Literature Reference DOI 10.1016/j.phytochem.2006.06.031
Molecular Weight 586.593 g/mol
Sample ID 67159
Solvent CD3OD