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(+)-6-O-Allyl-2,3:4,5-di-O-cyclohexylidene-myo-inositol
SpectraBase Compound ID Fnttg0iMkDF
InChI InChI=1S/C21H32O6/c1-2-13-23-15-14(22)16-18(26-20(24-16)9-5-3-6-10-20)19-17(15)25-21(27-19)11-7-4-8-12-21/h2,14-19,22H,1,3-13H2/t14-,15-,16-,17+,18-,19-/m1/s1
InChIKey KEBPNIMBCDESEN-WVXCVLBUSA-N
Mol Weight 380.5 g/mol
Molecular Formula C21H32O6
Exact Mass 380.219889 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1MJbR88uJ7m
Name (+)-6-O-Allyl-2,3:4,5-di-O-cyclohexylidene-myo-inositol
Alternate Name(s) (1'R,2'R,6'S,7'R,8'R,9'R)-7'-(prop-2-en-1-yloxy)dispiro[cyclohexane-1,4'-[3,5,10,12]tetraoxatricyclo[7.3.0.0(2,6)]dodecane-11',1''-cyclohexane]-8'-ol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H32O6
InChI InChI=1S/C21H32O6/c1-2-13-23-15-14(22)16-18(26-20(24-16)9-5-3-6-10-20)19-17(15)25-21(27-19)11-7-4-8-12-21/h2,14-19,22H,1,3-13H2/t14-,15-,16-,17+,18-,19-/m1/s1
InChIKey KEBPNIMBCDESEN-WVXCVLBUSA-N
Molecular Weight 380.481 g/mol
SMILES O[C@]1([C@@]2([C@]([C@]3([C@@](OC4(O3)CCCCC4)([C@@]1(OCC=C)[H])[H])[H])(OC1(CCCCC1)O2)[H])[H])[H]
SPLASH splash10-0a4r-9008000000-a91651ec91e5919de01e
Source of Spectrum J-63-5436-24
Wiley ID 1359740