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(1S,4S,5R,6R,7R)-1-O-Acetyl-4,5:6,7-bis(isopropylidenedioxy)-2-cyclohepten-1-ol
SpectraBase Compound ID 7AIZ8qqusyd
InChI InChI=1S/C15H22O6/c1-8(16)17-9-6-7-10-12(20-14(2,3)18-10)13-11(9)19-15(4,5)21-13/h6-7,9-13H,1-5H3/t9-,10-,11+,12+,13-/m0/s1
InChIKey HNCKTLFKHYWXND-YYHQMBLXSA-N
Mol Weight 298.34 g/mol
Molecular Formula C15H22O6
Exact Mass 298.141638 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4P4oE1Kz1FH
Name (1S,4S,5R,6R,7R)-1-O-Acetyl-4,5:6,7-bis(isopropylidenedioxy)-2-cyclohepten-1-ol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H22O6
InChI InChI=1S/C15H22O6/c1-8(16)17-9-6-7-10-12(20-14(2,3)18-10)13-11(9)19-15(4,5)21-13/h6-7,9-13H,1-5H3/t9-,10-,11+,12+,13-/m0/s1
InChIKey HNCKTLFKHYWXND-YYHQMBLXSA-N
Molecular Weight 298.335 g/mol
SMILES [C@]12([C@@]3(OC(C)(C)O[C@]3(C=C[C@@]([C@]1(OC(O2)(C)C)[H])(OC(=O)C)[H])[H])[H])[H]
SPLASH splash10-0006-9320000000-ed094f15f386f0c7df51
Source of Spectrum J-67-3716-70
Synonyms (3aR,4S,6aS,9aR,9bR)-2,2,8,8-tetramethyl-4,6a,9a,9b-tetrahydro-3aH-[1,3]dioxolo[4',5':3,4]cyclohepta[1,2-d][1,3]dioxol-4-yl acetate
Wiley ID 1569907