John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=1Hx7Obc4IQ SpectraBase Spectrum ID=7MhBY5GfBHS

(accessed ).
REL-(7R,8S,1'R,3'R,4'S,5'S,6'R)-DELTA-(8')-4',5'-DIACETOXY-6'-HYDROXY-3,4,3'-TRIMETHOXY-8.1',7.O.6'-NEOLIGNAN
SpectraBase Compound ID 1Hx7Obc4IQ
InChI InChI=1S/C25H34O9/c1-8-11-24-13-20(31-7)22(32-15(3)26)23(33-16(4)27)25(24,28)34-21(14(24)2)17-9-10-18(29-5)19(12-17)30-6/h8-10,12,14,20-23,28H,1,11,13H2,2-7H3/t14-,20-,21-,22+,23+,24-,25+/m1/s1
InChIKey STVSGJYXTXXUBM-UOMFWBNQSA-N
Mol Weight 478.5 g/mol
Molecular Formula C25H34O9
Exact Mass 478.220283 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7MhBY5GfBHS
Name REL-(7R,8S,1'R,3'R,4'S,5'S,6'R)-DELTA-(8')-4',5'-DIACETOXY-6'-HYDROXY-3,4,3'-TRIMETHOXY-8.1',7.O.6'-NEOLIGNAN
Compound Number 15C
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H34O9
InChI InChI=1S/C25H34O9/c1-8-11-24-13-20(31-7)22(32-15(3)26)23(33-16(4)27)25(24,28)34-21(14(24)2)17-9-10-18(29-5)19(12-17)30-6/h8-10,12,14,20-23,28H,1,11,13H2,2-7H3/t14-,20-,21-,22+,23+,24-,25+/m1/s1
InChIKey STVSGJYXTXXUBM-UOMFWBNQSA-N
Literature Reference Author J.M.DAVID,M.YOSHIDA,O.R.GOTTLIEB
Literature Reference Citation PHYTOCHEM.,36,491(1994)
Literature Reference DOI 10.1016/S0031-9422(00)97102-4
Molecular Weight 478.540 g/mol
Solvent CDCl3
Source File Reference UWMS25275
SpectraBase Batch ID HerrbsCD98