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16-O-OLEOYL-DANSHENXINKUN-A

View entire compound with spectra: 1 NMR

16-O-OLEOYL-DANSHENXINKUN-A
SpectraBase Compound ID E5jVQOXY7FN
InChI InChI=1S/C36H48O5/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-31(37)41-25-27(3)32-34(38)30-24-23-28-26(2)20-19-21-29(28)33(30)36(40)35(32)39/h11-12,19-21,23-24,27,39H,4-10,13-18,22,25H2,1-3H3/b12-11+
InChIKey CKCNLHQWTDJDRS-VAWYXSNFSA-N
Mol Weight 560.8 g/mol
Molecular Formula C36H48O5
Exact Mass 560.350175 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KCIbZ0jiz58
Name 16-O-OLEOYL-DANSHENXINKUN-A
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C36H48O5
InChI InChI=1S/C36H48O5/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-31(37)41-25-27(3)32-34(38)30-24-23-28-26(2)20-19-21-29(28)33(30)36(40)35(32)39/h11-12,19-21,23-24,27,39H,4-10,13-18,22,25H2,1-3H3/b12-11+
InChIKey CKCNLHQWTDJDRS-VAWYXSNFSA-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 560.774 g/mol
Solvent CDCl3
Source File Reference UWRU7120