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(3aR,5R,6R,6aR)-6-(2-bromo-4,5-dimethoxy-benzyl)oxy-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole

View entire compound with spectra: 1 MS (GC)

(3aR,5R,6R,6aR)-6-(2-bromo-4,5-dimethoxy-benzyl)oxy-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole
SpectraBase Compound ID I5z2YWFs4gI
InChI InChI=1S/C21H29BrO8/c1-20(2)26-10-15(28-20)16-17(18-19(27-16)30-21(3,4)29-18)25-9-11-7-13(23-5)14(24-6)8-12(11)22/h7-8,15-19H,9-10H2,1-6H3/t15-,16-,17-,18-,19-/m1/s1
InChIKey MEWMJNHVKIDFTO-FVVUREQNSA-N
Mol Weight 489.36 g/mol
Molecular Formula C21H29BrO8
Exact Mass 488.104581 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FwHDG2BiDsF
Name (3aR,5R,6R,6aR)-6-(2-bromo-4,5-dimethoxy-benzyl)oxy-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H29BrO8
InChI InChI=1S/C21H29BrO8/c1-20(2)26-10-15(28-20)16-17(18-19(27-16)30-21(3,4)29-18)25-9-11-7-13(23-5)14(24-6)8-12(11)22/h7-8,15-19H,9-10H2,1-6H3/t15-,16-,17-,18-,19-/m1/s1
InChIKey MEWMJNHVKIDFTO-FVVUREQNSA-N
Molecular Weight 489.359 g/mol
SMILES [C@]12([C@](O[C@@]([C@]2(OCc2c(cc(c(c2)OC)OC)Br)[H])([C@@]2(OC(C)(C)OC2)[H])[H])(OC(O1)(C)C)[H])[H]
SPLASH splash10-000o-0000900000-1857a1713320e5f4bf6b
Source of Spectrum K-2001-3348-5
Synonyms (3aR,5R,6R,6aR)-6-[(2-bromanyl-4,5-dimethoxy-phenyl)methoxy]-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole (3aR,5R,6R,6aR)-6-[(2-bromo-4,5-dimethoxy-phenyl)methoxy]-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole
Wiley ID 1580216