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3-O-(2'E,4'E-decadienoyl)-20-O-acetylingenol
SpectraBase Compound ID 8gzuCs1jexT
InChI InChI=1S/C32H44O7/c1-7-8-9-10-11-12-13-14-25(34)39-29-19(2)17-31-20(3)15-24-26(30(24,5)6)23(28(31)36)16-22(18-38-21(4)33)27(35)32(29,31)37/h11-14,16-17,20,23-24,26-27,29,35,37H,7-10,15,18H2,1-6H3/b12-11+,14-13+/t20-,23+,24-,26+,27-,29+,31+,32+/m1/s1
InChIKey SYXKKJDQNXPUSI-HDJUQUQRSA-N
Mol Weight 540.7 g/mol
Molecular Formula C32H44O7
Exact Mass 540.308704 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CCiaAremYKD
Name 20-ACETYL-INGENOL-3-DECADIENOATE
Compound Number 61
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C32H44O7
InChI InChI=1S/C32H44O7/c1-7-8-9-10-11-12-13-14-25(34)39-29-19(2)17-31-20(3)15-24-26(30(24,5)6)23(28(31)36)16-22(18-38-21(4)33)27(35)32(29,31)37/h11-14,16-17,20,23-24,26-27,29,35,37H,7-10,15,18H2,1-6H3/b12-11+,14-13+/t20-,23+,24-,26+,27-,29+,31+,32+/m1/s1
InChIKey SYXKKJDQNXPUSI-HDJUQUQRSA-N
Literature Reference Author Q.C.WU,Y.P.TANG,A.W.DING,F.Q.YOU,L.ZHANG,J.A.DUAN
Literature Reference Citation MOLECULES,14,4454(2009)
Literature Reference DOI 10.3390/molecules14114454
Molecular Weight 540.697 g/mol
Sample ID 69941
Solvent CDCl3