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27-O-TRANS-CINNAMOYLMYRICERONE-METHYLESTER

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27-O-TRANS-CINNAMOYLMYRICERONE-METHYLESTER
SpectraBase Compound ID 36n5gS3tMb4
InChI InChI=1S/C40H54O5/c1-35(2)21-22-39(34(43)44-7)23-24-40(26-45-33(42)16-13-27-11-9-8-10-12-27)28(29(39)25-35)14-15-31-37(5)19-18-32(41)36(3,4)30(37)17-20-38(31,40)6/h8-14,16,29-31H,15,17-26H2,1-7H3/b16-13+/t29-,30-,31+,37-,38+,39-,40-/m0/s1
InChIKey RWXGLMPEZNSIRZ-ADVKDGATSA-N
Mol Weight 614.9 g/mol
Molecular Formula C40H54O5
Exact Mass 614.397125 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4g8tKmssd2t
Name 27-O-TRANS-CINNAMOYLMYRICERONE-METHYLESTER
Compound Number 20
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C40H54O5
InChI InChI=1S/C40H54O5/c1-35(2)21-22-39(34(43)44-7)23-24-40(26-45-33(42)16-13-27-11-9-8-10-12-27)28(29(39)25-35)14-15-31-37(5)19-18-32(41)36(3,4)30(37)17-20-38(31,40)6/h8-14,16,29-31H,15,17-26H2,1-7H3/b16-13+/t29-,30-,31+,37-,38+,39-,40-/m0/s1
InChIKey RWXGLMPEZNSIRZ-ADVKDGATSA-N
Literature Reference Author K.SAKURAWI,F.YASUDA,T.TOZYO,M.NAKAMURA,T.SATO,J.KIKUCHI,Y.TE RUI,Y.IKENISHI,T.IW
Literature Reference Citation CHEM.PHARM.BULL.,44,343(1996)
Literature Reference DOI 10.1248/cpb.44.343
Molecular Weight 614.866 g/mol
Solvent CDCl3
Source File Reference UWLU31660