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Benzeneacetic acid, 3,4,5-trimethoxy-, (4a,10b-dihydro-6,10b-dimethylnaphtho[2,1-e]-1,2,4-trioxin-3-yl)methyl ester, (3.alpha.,4a.beta.,10b.beta.)-(.+-.)-
SpectraBase Compound ID GtwNjYlSk5p
InChI InChI=1S/C25H28O8/c1-15-10-21-25(2,18-9-7-6-8-17(15)18)33-32-23(31-21)14-30-22(26)13-16-11-19(27-3)24(29-5)20(12-16)28-4/h6-12,21,23H,13-14H2,1-5H3/t21-,23-,25+/m0/s1
InChIKey UYOBPODPSDIMNJ-UMXIMWEHSA-N
Mol Weight 456.49 g/mol
Molecular Formula C25H28O8
Exact Mass 456.178418 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 66qVsiaiQUX
Name Benzeneacetic acid, 3,4,5-trimethoxy-, (4a,10b-dihydro-6,10b-dimethylnaphtho[2,1-e]-1,2,4-trioxin-3-yl)methyl ester, (3.alpha.,4a.beta.,10b.beta.)-(.+-.)-
CAS Registry Number 122407-32-3
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H28O8
InChI InChI=1S/C25H28O8/c1-15-10-21-25(2,18-9-7-6-8-17(15)18)33-32-23(31-21)14-30-22(26)13-16-11-19(27-3)24(29-5)20(12-16)28-4/h6-12,21,23H,13-14H2,1-5H3/t21-,23-,25+/m0/s1
InChIKey UYOBPODPSDIMNJ-UMXIMWEHSA-N
Molecular Weight 456.491 g/mol
SMILES [C@]12([C@](C=C(c3c2cccc3)C)(O[C@@](OO1)(COC(=O)Cc1cc(OC)c(c(c1)OC)OC)[H])[H])C
SPLASH splash10-0arr-2900000000-7162b637aa00d974d7a8
Source of Spectrum H-71-1810-16
Synonyms Naphtho[2,1-e]-1,2,4-trioxin, benzeneacetic acid deriv. (3RS,4aRS,10bSR)-4a,10b-dihydro-6,10b-dimethylnaphtho-[2,1-e][1,2,4]trioxine-3-methyl (3,4,5-trimethoxyphenyl)acetate [(3S,4aS,10bR)-6,10b-dimethyl-4a,10b-dihydronaphtho[2,1-e][1,2,4]trioxin-3-yl]methyl (3,4,5-trimethoxyphenyl)acetate
Wiley ID 1389280