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NEGLSCHISANDRIN-D;(6R,7SR-BIAR)-BENZOIC-ACID-2,3,10,11,12-PENTAMETHOXY-6,7-DIMETHYL-5,6,7,8-TETRAHYDRODIBENZO-[A,C]-CYCLOOCTEN-1-YL-ESTER
SpectraBase Compound ID 5orurVBvl0C
InChI InChI=1S/C30H34O7/c1-17-13-20-15-22(32-3)26(34-5)28(36-7)24(20)25-21(14-18(17)2)16-23(33-4)27(35-6)29(25)37-30(31)19-11-9-8-10-12-19/h8-12,15-18H,13-14H2,1-7H3/t17-,18+/m1/s1
InChIKey UJCNECGQPDWBSU-MSOLQXFVSA-N
Mol Weight 506.6 g/mol
Molecular Formula C30H34O7
Exact Mass 506.230453 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 81T00HzS0yf
Name NEGLSCHISANDRIN-D;(6R,7SR-BIAR)-BENZOIC-ACID-2,3,10,11,12-PENTAMETHOXY-6,7-DIMETHYL-5,6,7,8-TETRAHYDRODIBENZO-[A,C]-CYCLOOCTEN-1-YL-ESTER
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C30H34O7
InChI InChI=1S/C30H34O7/c1-17-13-20-15-22(32-3)26(34-5)28(36-7)24(20)25-21(14-18(17)2)16-23(33-4)27(35-6)29(25)37-30(31)19-11-9-8-10-12-19/h8-12,15-18H,13-14H2,1-7H3/t17-,18+/m1/s1
InChIKey UJCNECGQPDWBSU-MSOLQXFVSA-N
Literature Reference Author M.CHEN,Z.LIAO,X.XU,Y.WEN,M.SUN,H.ZHANG,W.MA
Literature Reference Citation MOLECULES,13,1148(2008)
Literature Reference DOI 10.3390/molecules13051148
Molecular Weight 506.596 g/mol
Sample ID 56680
Solvent CDCl3