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(3aR,5R,6R,6aR)-6-(2-bromo-5-methoxy-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

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(3aR,5R,6R,6aR)-6-(2-bromo-5-methoxy-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 856GZ9zoDjp
InChI InChI=1S/C20H27BrO7/c1-19(2)24-10-14(26-19)15-16(17-18(25-15)28-20(3,4)27-17)23-9-11-8-12(22-5)6-7-13(11)21/h6-8,14-18H,9-10H2,1-5H3/t14-,15-,16-,17-,18-/m1/s1
InChIKey HLVHXINAKALTGA-DUQPFJRNSA-N
Mol Weight 459.33 g/mol
Molecular Formula C20H27BrO7
Exact Mass 458.094016 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID I86if6MbgjB
Name (3aR,5R,6R,6aR)-6-(2-bromo-5-methoxy-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 C20H27BrO7
InChI InChI=1S/C20H27BrO7/c1-19(2)24-10-14(26-19)15-16(17-18(25-15)28-20(3,4)27-17)23-9-11-8-12(22-5)6-7-13(11)21/h6-8,14-18H,9-10H2,1-5H3/t14-,15-,16-,17-,18-/m1/s1
InChIKey HLVHXINAKALTGA-DUQPFJRNSA-N
Molecular Weight 459.333 g/mol
SMILES [C@]12([C@](O[C@@]([C@]2(OCc2c(ccc(c2)OC)Br)[H])([C@@]2(OC(C)(C)OC2)[H])[H])(OC(O1)(C)C)[H])[H]
SPLASH splash10-0di0-0000900000-9dc124c68070f7426cb3
Source of Spectrum K-2001-3348-5
Synonyms (3aR,5R,6R,6aR)-6-[(2-bromanyl-5-methoxy-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-5-methoxy-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 1580217