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(3aS,4R,5R,7aS)-7-bromo-4,5-bis(methoxymethoxy)-2-(4-methoxyphenyl)-3a,4,5,7a-tetrahydrobenzo[d][1,3]dioxole
SpectraBase Compound ID CCpwpqa5Ngr
InChI InChI=1S/C18H23BrO7/c1-20-9-23-14-8-13(19)15-17(16(14)24-10-21-2)26-18(25-15)11-4-6-12(22-3)7-5-11/h4-8,14-18H,9-10H2,1-3H3/t14-,15-,16-,17-,18?/m1/s1
InChIKey KNFJOUPNGWANHC-XNIMBYMISA-N
Mol Weight 431.28 g/mol
Molecular Formula C18H23BrO7
Exact Mass 430.062716 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LsvrzZjXS5z
Name (3aS,4R,5R,7aS)-7-bromo-4,5-bis(methoxymethoxy)-2-(4-methoxyphenyl)-3a,4,5,7a-tetrahydrobenzo[d][1,3]dioxole
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Formula C18H23BrO7
InChI InChI=1S/C18H23BrO7/c1-20-9-23-14-8-13(19)15-17(16(14)24-10-21-2)26-18(25-15)11-4-6-12(22-3)7-5-11/h4-8,14-18H,9-10H2,1-3H3/t14-,15-,16-,17-,18?/m1/s1
InChIKey KNFJOUPNGWANHC-XNIMBYMISA-N
Literature Reference DOI 10.1021/ol071344y
Molecular Weight 431.279 g/mol
SMILES [C@]1([C@]2([C@]([H])(OC(c3ccc(cc3)OC)O2)C(=C[C@]1(OCOC)[H])Br)[H])(OCOC)[H]
SPLASH splash10-0019-3960000000-631b538fc6f61c8ce1e9
Source of Spectrum A1-9-3503/SMS5-6a
Wiley ID 1758440