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5-TETRADECANOATE-INGENOL-3,20-DIACETATE
SpectraBase Compound ID DsVRAxNRTzS
InChI InChI=1S/C38H58O8/c1-8-9-10-11-12-13-14-15-16-17-18-19-31(41)46-35-28(23-44-26(4)39)21-29-32-30(36(32,6)7)20-25(3)37(33(29)42)22-24(2)34(38(35,37)43)45-27(5)40/h21-22,25,29-30,32,34-35,43H,8-20,23H2,1-7H3/t25-,29+,30-,32+,34+,35-,37+,38-/m1/s1
InChIKey ZEPNWNOEKWWHJN-XEXQGZFPSA-N
Mol Weight 642.9 g/mol
Molecular Formula C38H58O8
Exact Mass 642.413169 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GQuXQFa9j2s
Name 5-TETRADECANOATE-INGENOL-3,20-DIACETATE
Compound Number 63
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C38H58O8
InChI InChI=1S/C38H58O8/c1-8-9-10-11-12-13-14-15-16-17-18-19-31(41)46-35-28(23-44-26(4)39)21-29-32-30(36(32,6)7)20-25(3)37(33(29)42)22-24(2)34(38(35,37)43)45-27(5)40/h21-22,25,29-30,32,34-35,43H,8-20,23H2,1-7H3/t25-,29+,30-,32+,34+,35-,37+,38-/m1/s1
InChIKey ZEPNWNOEKWWHJN-XEXQGZFPSA-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 642.874 g/mol
Sample ID 69943
Solvent CDCl3