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2,4-TRANS-GONIONENINONE
SpectraBase Compound ID 1aRArne7J10
InChI InChI=1S/C37H66O7/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-33(40)35-25-26-36(44-35)34(41)24-23-31(39)20-17-16-18-21-32-28-30(27-29(2)38)37(42)43-32/h14-15,30-36,39-41H,3-13,16-28H2,1-2H3/b15-14-/t30-,31+,32-,33+,34+,35+,36+/m0/s1
InChIKey LAHISNRJSVBVFU-BUJMACIISA-N
Mol Weight 622.9 g/mol
Molecular Formula C37H66O7
Exact Mass 622.480854 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GdnegCTXlu4
Name 2,4-TRANS-GONIONENINONE
Compound Number 2-TRANS
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C37H66O7
InChI InChI=1S/C37H66O7/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-33(40)35-25-26-36(44-35)34(41)24-23-31(39)20-17-16-18-21-32-28-30(27-29(2)38)37(42)43-32/h14-15,30-36,39-41H,3-13,16-28H2,1-2H3/b15-14-/t30-,31+,32-,33+,34+,35+,36+/m0/s1
InChIKey LAHISNRJSVBVFU-BUJMACIISA-N
Literature Reference Author F.Q.ALALI,Y.ZHANG,L.ROGERS,J.L.MCLAUGHLIN
Literature Reference Citation PHYTOCHEM.,49,761(1998)
Literature Reference DOI 10.1016/S0031-9422(97)00922-9
Molecular Weight 622.927 g/mol
Solvent CDCl3
Source File Reference UWLU189