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Naphtho[2,1-e]-1,2,4-trioxin-3-hexanol, 4a,10b-dihydro-6,10b-dimethyl-, benzoate, (3.alpha.,4a.beta.,10b.beta.)-(.+-.)-
SpectraBase Compound ID E8qe2gpnQxu
InChI InChI=1S/C26H30O5/c1-19-18-23-26(2,22-15-10-9-14-21(19)22)31-30-24(29-23)16-8-3-4-11-17-28-25(27)20-12-6-5-7-13-20/h5-7,9-10,12-15,18,23-24H,3-4,8,11,16-17H2,1-2H3/t23-,24-,26+/m0/s1
InChIKey OKMRCVRYHWEBHQ-KYPHJKQUSA-N
Mol Weight 422.52 g/mol
Molecular Formula C26H30O5
Exact Mass 422.209324 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Cy2C7oszG1W
Name Naphtho[2,1-e]-1,2,4-trioxin-3-hexanol, 4a,10b-dihydro-6,10b-dimethyl-, benzoate, (3.alpha.,4a.beta.,10b.beta.)-(.+-.)-
CAS Registry Number 122407-31-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H30O5
InChI InChI=1S/C26H30O5/c1-19-18-23-26(2,22-15-10-9-14-21(19)22)31-30-24(29-23)16-8-3-4-11-17-28-25(27)20-12-6-5-7-13-20/h5-7,9-10,12-15,18,23-24H,3-4,8,11,16-17H2,1-2H3/t23-,24-,26+/m0/s1
InChIKey OKMRCVRYHWEBHQ-KYPHJKQUSA-N
Molecular Weight 422.521 g/mol
SMILES [C@]12([C@](C=C(c3c2cccc3)C)(O[C@@](OO1)(CCCCCCOC(=O)c1ccccc1)[H])[H])C
SPLASH splash10-0a4i-4900000000-8265cc3bf4147b68ef3b
Source of Spectrum H-71-1810-15
Synonyms (3RS,4aRS,10bSR)-4a,10b-dihydro-6,10b-dimethylnaphtho-[2,1-e][1,2,4]trioxine-3-methyl benzoate 6-[(3S,4aS,10bR)-6,10b-dimethyl-4a,10b-dihydronaphtho[2,1-e][1,2,4]trioxin-3-yl]hexyl benzoate
Wiley ID 1378745