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Naphtho[2,1-e]-1,2,4-trioxin-3-methanol, 4a,10b-dihydro-6,10b-dimethyl-, benzoate, (3.alpha.,4a.alpha.,10b.alpha.)-(.+-.)-
SpectraBase Compound ID BGFAOuC0oTC
InChI InChI=1S/C21H20O5/c1-14-12-18-21(2,17-11-7-6-10-16(14)17)26-25-19(24-18)13-23-20(22)15-8-4-3-5-9-15/h3-12,18-19H,13H2,1-2H3/t18-,19+,21+/m1/s1
InChIKey GWJQOPUBOVXYGZ-DYXWJJEUSA-N
Mol Weight 352.39 g/mol
Molecular Formula C21H20O5
Exact Mass 352.131074 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5JUr8fe5ZBC
Name Naphtho[2,1-e]-1,2,4-trioxin-3-methanol, 4a,10b-dihydro-6,10b-dimethyl-, benzoate, (3.alpha.,4a.alpha.,10b.alpha.)-(.+-.)-
CAS Registry Number 122346-68-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H20O5
InChI InChI=1S/C21H20O5/c1-14-12-18-21(2,17-11-7-6-10-16(14)17)26-25-19(24-18)13-23-20(22)15-8-4-3-5-9-15/h3-12,18-19H,13H2,1-2H3/t18-,19+,21+/m1/s1
InChIKey GWJQOPUBOVXYGZ-DYXWJJEUSA-N
Molecular Weight 352.386 g/mol
SMILES [C@@]12([C@@](C=C(c3c2cccc3)C)(O[C@@](OO1)(COC(=O)c1ccccc1)[H])[H])C
SPLASH splash10-0a4i-3900000000-730fc6f88df71085fdd9
Source of Spectrum H-71-1810-14
Synonyms (3RS,4aSR,10bRS)-4a,10b-dihydro-6,10b-dimethylnaphtho-[2,1-e][1,2,4]trioxine-3-methyl benzoate [(3S,4aR,10bS)-6,10b-dimethyl-4a,10b-dihydronaphtho[2,1-e][1,2,4]trioxin-3-yl]methyl benzoate
Wiley ID 1343373