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(2'alpha,3A'alpha,4'alpha,7'alpha,7A'alpha)-2-(4',7'-Dimethoxy-3A',4',7',7A'-tetrahydro-1',3'-benzodioxol-2'-yl)-4-hydroxy-1-methoxy-3-(2''-methyl

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

(2'alpha,3A'alpha,4'alpha,7'alpha,7A'alpha)-2-(4',7'-Dimethoxy-3A',4',7',7A'-tetrahydro-1',3'-benzodioxol-2'-yl)-4-hydroxy-1-methoxy-3-(2''-methyl
SpectraBase Compound ID F45JJ5He3LL
InChI InChI=1S/C28H28O8/c1-13(2)12-16-19(28-35-25-17(32-3)10-11-18(33-4)26(25)36-28)27(34-5)21-20(24(16)31)22(29)14-8-6-7-9-15(14)23(21)30/h6-11,17-18,25-26,28,31H,1,12H2,2-5H3/t17-,18+,25+,26-,28-
InChIKey LOELLSGUVPOYDM-SBYMISEBSA-N
Mol Weight 492.52 g/mol
Molecular Formula C28H28O8
Exact Mass 492.178418 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 53oMNppto40
Name (2'alpha,3A'alpha,4'alpha,7'alpha,7A'alpha)-2-(4',7'-Dimethoxy-3A',4',7',7A'-tetrahydro-1',3'-benzodioxol-2'-yl)-4-hydroxy-1-methoxy-3-(2''-methyl
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 492.178417854 u
Formula C28H28O8
InChI InChI=1S/C28H28O8/c1-13(2)12-16-19(28-35-25-17(32-3)10-11-18(33-4)26(25)36-28)27(34-5)21-20(24(16)31)22(29)14-8-6-7-9-15(14)23(21)30/h6-11,17-18,25-26,28,31H,1,12H2,2-5H3/t17-,18+,25+,26-,28-
InChIKey LOELLSGUVPOYDM-SBYMISEBSA-N
Molecular Weight 492.524 g/mol
SMILES [C@]1(O[C@]2([C@@](C=C[C@@]([C@]2(O1)[H])(OC)[H])(OC)[H])[H])(C1=C(C2=C(C(=O)C=3C(C2=O)=CC=CC3)C(=C1CC(=C)C)O)OC)[H]
Spectrum/Structure Validation Score (Vapor Phase IR) 0.916257