(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 Google Search
Mol Weight	414.45 g/mol
Molecular Formula	C23H26O7
Exact Mass	414.167853 g/mol

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SpectraBase Spectrum ID	rr2duc3y4z
Name	(3,4-Methylenedioxy-7-acetoxy-1'-allyl-3',5'-dimethoxy)-[8.0.4']-neolignan
Comments	Computed using SmartSpectra Model v1.42
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	414.167853170 u
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@@](C=2C=C3OCOC3=CC2)(OC(=O)C)[H])(C)[H])=C(C=C(C=C1OC)CC=C)OC
Spectrum/Structure Validation Score (Vapor Phase IR)	0.941533