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AJUGAPTIN
SpectraBase Compound ID DoL1MalhSJh
InChI InChI=1S/C29H42O10/c1-7-15(2)25(33)39-24-20(32)12-21-27(6,22-11-19-8-9-34-26(19)38-22)16(3)10-23(37-18(5)31)28(21,13-35-17(4)30)29(24)14-36-29/h8-9,15-16,19-24,26,32H,7,10-14H2,1-6H3/t15?,16-,19+,20-,21-,22?,23+,24+,26-,27+,28+,29-/m1/s1
InChIKey LHFSTOLZQVESJD-TZZPQZFHSA-N
Mol Weight 550.6 g/mol
Molecular Formula C29H42O10
Exact Mass 550.277798 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4Wmv8F0jeYv
Name AJUGAPTIN
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H42O10
InChI InChI=1S/C29H42O10/c1-7-15(2)25(33)39-24-20(32)12-21-27(6,22-11-19-8-9-34-26(19)38-22)16(3)10-23(37-18(5)31)28(21,13-35-17(4)30)29(24)14-36-29/h8-9,15-16,19-24,26,32H,7,10-14H2,1-6H3/t15?,16-,19+,20-,21-,22?,23+,24+,26-,27+,28+,29-/m1/s1
InChIKey LHFSTOLZQVESJD-TZZPQZFHSA-N
Literature Reference Author L.J.M.RAO,J.PEREIRA,K.N.GURUDUTT
Literature Reference Citation PHYTOCHEM.,34,572(1993)
Literature Reference DOI 10.1016/0031-9422(93)80049-X
Molecular Weight 550.646 g/mol
Solvent CDCl3
Source File Reference UWLU7409