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(1R,3R,4S)-7-Bromo-8-(benzyloxy)-3,4-dihydro-4-hydroxy-1,3-dimethyl-5-methoxybenzo[c]pyran

View entire compound with spectra: 1 MS (GC)

(1R,3R,4S)-7-Bromo-8-(benzyloxy)-3,4-dihydro-4-hydroxy-1,3-dimethyl-5-methoxybenzo[c]pyran
SpectraBase Compound ID CG3mMGFrsTX
InChI InChI=1S/C19H21BrO4/c1-11-16-17(18(21)12(2)24-11)15(22-3)9-14(20)19(16)23-10-13-7-5-4-6-8-13/h4-9,11-12,18,21H,10H2,1-3H3/t11-,12-,18-/m1/s1
InChIKey DXCFTFAXCWWHGP-SEDUGSJDSA-N
Mol Weight 393.28 g/mol
Molecular Formula C19H21BrO4
Exact Mass 392.062322 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3f02wJKgvAd
Name (1R,3R,4S)-7-Bromo-8-(benzyloxy)-3,4-dihydro-4-hydroxy-1,3-dimethyl-5-methoxybenzo[c]pyran
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H21BrO4
InChI InChI=1S/C19H21BrO4/c1-11-16-17(18(21)12(2)24-11)15(22-3)9-14(20)19(16)23-10-13-7-5-4-6-8-13/h4-9,11-12,18,21H,10H2,1-3H3/t11-,12-,18-/m1/s1
InChIKey DXCFTFAXCWWHGP-SEDUGSJDSA-N
Molecular Weight 393.277 g/mol
SMILES O[C@]1(c2c(c(c(cc2OC)Br)OCc2ccccc2)[C@](O[C@@]1(C)[H])(C)[H])[H]
SPLASH splash10-0006-9112000000-89f3efb8003572bd0cd2
Source of Spectrum F5-3-271-35
Synonyms (1R,3R,4S)-8-(benzyloxy)-7-bromo-5-methoxy-1,3-dimethylisochroman-4-ol (1R,3R,4S)-7-bromo-5-methoxy-1,3-dimethyl-8-phenylmethoxy-3,4-dihydro-1H-2-benzopyran-4-ol (1R,3R,4S)-7-bromo-5-methoxy-1,3-dimethyl-8-phenylmethoxy-3,4-dihydro-1H-isochromen-4-ol (1R,3R,4S)-8-benzyloxy-7-bromo-5-methoxy-1,3-dimethyl-isochroman-4-ol (1R,3R,4S)-7-bromanyl-5-methoxy-1,3-dimethyl-8-phenylmethoxy-3,4-dihydro-1H-isochromen-4-ol
Wiley ID 1732144