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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)-1-methoxy-4-(2''-methylprop-2''-enylo

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)-1-methoxy-4-(2''-methylprop-2''-enylo
SpectraBase Compound ID EpvLtC2GTrI
InChI InChI=1S/C28H28O8/c1-14(2)13-34-20-12-17(28-35-26-18(31-3)10-11-19(32-4)27(26)36-28)25(33-5)22-21(20)23(29)15-8-6-7-9-16(15)24(22)30/h6-12,18-19,26-28H,1,13H2,2-5H3/t18-,19+,26+,27-,28?
InChIKey YWXSOCQFQBASCG-UPHCYCCYSA-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 IqxGDpskElD
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)-1-methoxy-4-(2''-methylprop-2''-enylo
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/c1-14(2)13-34-20-12-17(28-35-26-18(31-3)10-11-19(32-4)27(26)36-28)25(33-5)22-21(20)23(29)15-8-6-7-9-16(15)24(22)30/h6-12,18-19,26-28H,1,13H2,2-5H3/t18-,19+,26+,27-,28?
InChIKey YWXSOCQFQBASCG-UPHCYCCYSA-N
Molecular Weight 492.524 g/mol
SMILES C1(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(OCC(=C)C)=C1)OC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.813843