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(3,4-Methylenedioxy-7-acetoxy-1'-allyl-3',5'-dimethoxy)-[8.0.4']-Neolignan
SpectraBase Compound ID CUEhNQN73IE
InChI InChI=1S/C23H26O7/c1-6-7-16-10-20(25-4)23(21(11-16)26-5)29-14(2)22(30-15(3)24)17-8-9-18-19(12-17)28-13-27-18/h6,8-12,14,22H,1,7,13H2,2-5H3/t14-,22-/m0/s1
InChIKey TXMPVOYUEWSAFV-FPTDNZKUSA-N
Mol Weight 414.45 g/mol
Molecular Formula C23H26O7
Exact Mass 414.167853 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ERLCQJPvdLV
Name (3,4-Methylenedioxy-7-acetoxy-1'-allyl-3',5'-dimethoxy)-[8.0.4']-Neolignan
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H26O7
InChI InChI=1S/C23H26O7/c1-6-7-16-10-20(25-4)23(21(11-16)26-5)29-14(2)22(30-15(3)24)17-8-9-18-19(12-17)28-13-27-18/h6,8-12,14,22H,1,7,13H2,2-5H3/t14-,22-/m0/s1
InChIKey TXMPVOYUEWSAFV-FPTDNZKUSA-N
Molecular Weight 414.454 g/mol
SMILES c1(O[C@]([C@@](c2cc3OCOc3cc2)(OC(=O)C)[H])(C)[H])c(cc(cc1OC)CC=C)OC
SPLASH splash10-0006-9310000000-53e134baf65949c4d3a1
Source of Spectrum G4-54-159-3
Wiley ID 1702040