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3-O-(2-Bromo-4,5-methylidenedioxybenzyl)-1,2:5,6-di-O-isopropylidene-.alpha.,D-allofuranoside
SpectraBase Compound ID EPzZZOmY4Qo
InChI InChI=1S/C20H25BrO8/c1-19(2)25-8-14(27-19)15-16(17-18(26-15)29-20(3,4)28-17)22-7-10-5-12-13(6-11(10)21)24-9-23-12/h5-6,14-18H,7-9H2,1-4H3/t14-,15-,16-,17-,18-/m1/s1
InChIKey FZJRZKHFNSRDCU-DUQPFJRNSA-N
Mol Weight 473.32 g/mol
Molecular Formula C20H25BrO8
Exact Mass 472.073281 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4LSYhpsiUlv
Name 3-O-(2-Bromo-4,5-methylidenedioxybenzyl)-1,2:5,6-di-O-isopropylidene-.alpha.,D-allofuranoside
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H25BrO8
InChI InChI=1S/C20H25BrO8/c1-19(2)25-8-14(27-19)15-16(17-18(26-15)29-20(3,4)28-17)22-7-10-5-12-13(6-11(10)21)24-9-23-12/h5-6,14-18H,7-9H2,1-4H3/t14-,15-,16-,17-,18-/m1/s1
InChIKey FZJRZKHFNSRDCU-DUQPFJRNSA-N
Molecular Weight 473.316 g/mol
SMILES [C@]12([C@](O[C@@]([C@]2(OCc2c(cc3c(c2)OCO3)Br)[H])([C@@]2(OC(C)(C)OC2)[H])[H])(OC(O1)(C)C)[H])[H]
SPLASH splash10-00di-0000900000-64a453922fadbaa80bfc
Source of Spectrum K-2001-3348-5
Synonyms 5-({[(3aR,5R,6R,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-tetrahydro-2H-furo[2,3-d][1,3]dioxol-6-yl]oxy}methyl)-6-bromo-2H-1,3-benzodioxole 5-[[(3aR,5R,6R,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]oxymethyl]-6-bromanyl-1,3-benzodioxole
Wiley ID 1580215