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Virgatusin;(-)-7,8-cis-8,8'-trans-7',8'-trans-7-[3,4-(methylenedioxy)-phenyl]-7'-(3',4'-dimethoxyphenyl)-8,8-bis-(methoxymethyl)-tetrahydrofurane

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Virgatusin;(-)-7,8-cis-8,8'-trans-7',8'-trans-7-[3,4-(methylenedioxy)-phenyl]-7'-(3',4'-dimethoxyphenyl)-8,8-bis-(methoxymethyl)-tetrahydrofurane
SpectraBase Compound ID 4u71pEIPtY5
InChI InChI=1S/C23H28O7/c1-24-11-16-17(12-25-2)23(15-6-8-19-21(10-15)29-13-28-19)30-22(16)14-5-7-18(26-3)20(9-14)27-4/h5-10,16-17,22-23H,11-13H2,1-4H3/t16-,17-,22+,23-/m1/s1
InChIKey OGTJJRNJLHLKFF-ROEJJBDBSA-N
Mol Weight 416.47 g/mol
Molecular Formula C23H28O7
Exact Mass 416.183503 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID CYE5ROeAWIi
Name Virgatusin;(-)-7,8-cis-8,8'-trans-7',8'-trans-7-[3,4-(methylenedioxy)-phenyl]-7'-(3',4'-dimethoxyphenyl)-8,8-bis-(methoxymethyl)-tetrahydrofurane
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 416.183503235 u
Formula C23H28O7
InChI InChI=1S/C23H28O7/c1-24-11-16-17(12-25-2)23(15-6-8-19-21(10-15)29-13-28-19)30-22(16)14-5-7-18(26-3)20(9-14)27-4/h5-10,16-17,22-23H,11-13H2,1-4H3/t16-,17-,22+,23-/m1/s1
InChIKey OGTJJRNJLHLKFF-ROEJJBDBSA-N
Molecular Weight 416.470 g/mol
SMILES [C@@]1(O[C@@]([C@@]([C@]1(COC)[H])(COC)[H])(C1=CC=2OCOC2C=C1)[H])(C1=CC(OC)=C(C=C1)OC)[H]
Spectrum/Structure Validation Score (Vapor Phase IR) 0.969729