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7-(3',4'-DI-O-ACETYL)-CAFFEOYL-1,3,4,5,6-PENTA-O-ACETYL-BETA-D-ALTRO-HEPTULOFURANOSE
SpectraBase Compound ID IBUIhDStGhO
InChI InChI=1S/C30H34O17/c1-15(31)40-13-23(38)28(45-19(5)35)30(47-21(7)37)29(46-20(6)36)26(44-18(4)34)14-41-27(39)11-9-22-8-10-24(42-16(2)32)25(12-22)43-17(3)33/h8-12,26,28-30H,13-14H2,1-7H3/b11-9+/t26-,28-,29+,30+/m1/s1
InChIKey LMEVVHLWBMPPEG-YWWFFFFESA-N
Mol Weight 666.6 g/mol
Molecular Formula C30H34O17
Exact Mass 666.1796 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7vV5OzlA39l
Name 7-(3',4'-DI-O-ACETYL)-CAFFEOYL-1,3,4,5,6-PENTA-O-ACETYL-BETA-D-ALTRO-HEPTULOFURANOSE
Compound Number 1B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C30H34O17
InChI InChI=1S/C30H34O17/c1-15(31)40-13-23(38)28(45-19(5)35)30(47-21(7)37)29(46-20(6)36)26(44-18(4)34)14-41-27(39)11-9-22-8-10-24(42-16(2)32)25(12-22)43-17(3)33/h8-12,26,28-30H,13-14H2,1-7H3/b11-9+/t26-,28-,29+,30+/m1/s1
InChIKey LMEVVHLWBMPPEG-YWWFFFFESA-N
Literature Reference Author X.C.LI,H.N.ELSOHLY,A.M.CLARK
Literature Reference Citation PHYTOCHEM.,53,1033(2000)
Literature Reference DOI 10.1016/S0031-9422(99)00435-5
Molecular Weight 666.590 g/mol
Solvent CDCl3
Source File Reference UWLU2293