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12-O-N-DECA-2,4,6-TRIENOYL-5-HYDROXY-6,7-EPOXY-RESINIFERONOL-9,13,14-ORTHOBENZOATE
SpectraBase Compound ID 147Nmg5Vo6S
InChI InChI=1S/C37H42O10/c1-6-7-8-9-10-11-15-18-26(39)43-29-23(5)36-25-19-22(4)28(40)34(25,42)32(41)33(20-38)30(44-33)27(36)31-35(29,21(2)3)46-37(45-31,47-36)24-16-13-12-14-17-24/h8-19,23,25,27,29-32,38,41-42H,2,6-7,20H2,1,3-5H3/b9-8+,11-10+,18-15+/t23-,25-,27+,29-,30+,31-,32-,33+,34-,35+,36+,37+/m1/s1
InChIKey NEIGQRKMHFDLTK-ADGBIWLGSA-N
Mol Weight 646.7 g/mol
Molecular Formula C37H42O10
Exact Mass 646.277798 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Kr2wAwH8NSW
Name 12-O-N-DECA-2,4,6-TRIENOYL-5-HYDROXY-6,7-EPOXY-RESINIFERONOL-9,13,14-ORTHOBENZOATE
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C37H42O10
InChI InChI=1S/C37H42O10/c1-6-7-8-9-10-11-15-18-26(39)43-29-23(5)36-25-19-22(4)28(40)34(25,42)32(41)33(20-38)30(44-33)27(36)31-35(29,21(2)3)46-37(45-31,47-36)24-16-13-12-14-17-24/h8-19,23,25,27,29-32,38,41-42H,2,6-7,20H2,1,3-5H3/b9-8+,11-10+,18-15+/t23-,25-,27+,29-,30+,31-,32-,33+,34-,35+,36+,37+/m1/s1
InChIKey NEIGQRKMHFDLTK-ADGBIWLGSA-N
Literature Reference Author G.BROOKS,A.T.EVANS,A.AITKEN,F.J.EVANS,A.F.M.RIZK,F.M.HAMMOUD A,M.M.EL.MISSIRY,S.E
Literature Reference Citation PHYTOCHEM.,29,2235(1990)
Literature Reference DOI 10.1016/0031-9422(90)83044-2
Molecular Weight 646.734 g/mol
Solvent CDCl3
Source File Reference UWMZ22419