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16-O-Oleoyl neocryptotanshinone
SpectraBase Compound ID UOqSlP9APE
InChI InChI=1S/C37H54O5/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-31(38)42-26-27(2)32-34(39)29-23-24-30-28(21-20-25-37(30,3)4)33(29)36(41)35(32)40/h12-13,23-24,27,40H,5-11,14-22,25-26H2,1-4H3/b13-12+
InChIKey ZDZOJQPZBICBMD-OUKQBFOZSA-N
Mol Weight 578.8 g/mol
Molecular Formula C37H54O5
Exact Mass 578.397125 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4uj6DjS7uJq
Name 16-O-OLEOYL-NEOCRYPTOTANSHINONE
Compound Number 1
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C37H54O5
InChI InChI=1S/C37H54O5/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-31(38)42-26-27(2)32-34(39)29-23-24-30-28(21-20-25-37(30,3)4)33(29)36(41)35(32)40/h12-13,23-24,27,40H,5-11,14-22,25-26H2,1-4H3/b13-12+
InChIKey ZDZOJQPZBICBMD-OUKQBFOZSA-N
Literature Reference Author H.C.LIN,H.Y.DING,W.L.CHANG
Literature Reference Citation J.NAT.PROD.,64,648(2001)
Literature Reference DOI 10.1021/np000345v
Molecular Weight 578.833 g/mol
Solvent CDCl3
Source File Reference UWRU7119