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2-(1H-indol-3-yl)acetic acid [(1S,6R)-6-[2-(1H-indol-3-yl)acetyl]oxy-1-[(Z)-non-1-enyl]oct-7-en-2,4-diynyl] ester
SpectraBase Compound ID 7ZFTcNEkfZI
InChI InChI=1S/C37H38N2O4/c1-3-5-6-7-8-9-10-18-31(43-37(41)25-29-27-39-35-23-16-14-21-33(29)35)19-12-11-17-30(4-2)42-36(40)24-28-26-38-34-22-15-13-20-32(28)34/h4,10,13-16,18,20-23,26-27,30-31,38-39H,2-3,5-9,24-25H2,1H3/b18-10-/t30-,31+/m1/s1
InChIKey CGTJISTXQMQMJA-LSZBGXSWSA-N
Mol Weight 574.7 g/mol
Molecular Formula C37H38N2O4
Exact Mass 574.283158 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8AdivHSkshr
Name 2-(1H-indol-3-yl)acetic acid [(1S,6R)-6-[2-(1H-indol-3-yl)acetyl]oxy-1-[(Z)-non-1-enyl]oct-7-en-2,4-diynyl] ester
Compound Number 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C37H38N2O4
InChI InChI=1S/C37H38N2O4/c1-3-5-6-7-8-9-10-18-31(43-37(41)25-29-27-39-35-23-16-14-21-33(29)35)19-12-11-17-30(4-2)42-36(40)24-28-26-38-34-22-15-13-20-32(28)34/h4,10,13-16,18,20-23,26-27,30-31,38-39H,2-3,5-9,24-25H2,1H3/b18-10-/t30-,31+/m1/s1
InChIKey CGTJISTXQMQMJA-LSZBGXSWSA-N
Literature Reference Author S.YAMAZOE,K.HASEGAWA,H.SHIGEMORI
Literature Reference Citation PHYTOCHEM.,68,1706(2007)
Literature Reference DOI 10.1016/j.phytochem.2007.03.036
Molecular Weight 574.720 g/mol
Sample ID 42661
Solvent CDCl3