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6-O-(.alpha.-L-arabinofuranosyl)-.beta.-neryl-D-glucopyranoside-hexakis(trifluoroacetyl)
SpectraBase Compound ID 8tQtuyY7ZMO
InChI InChI=1S/C33H30F18O16/c1-11(2)5-4-6-12(3)7-8-58-20-19(67-27(57)33(49,50)51)17(65-25(55)31(43,44)45)15(63-23(53)29(37,38)39)13(61-20)9-59-21-18(66-26(56)32(46,47)48)16(64-24(54)30(40,41)42)14(62-21)10-60-22(52)28(34,35)36/h5,7,13-21H,4,6,8-10H2,1-3H3/b12-7-/t13-,14-,15-,16-,17+,18+,19-,20+,21+/m1/s1
InChIKey CYAPMPWDJKDVSX-QUUCSLGDSA-N
Mol Weight 1024.6 g/mol
Molecular Formula C33H30F18O16
Exact Mass 1024.124642 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID I4qT5PdYVpz
Name 6-O-(.alpha.-L-arabinofuranosyl)-.beta.-neryl-D-glucopyranoside-hexakis(trifluoroacetyl)
Alternate Name(s) [(2R,3R,4S,5S)-5-{[(2R,3R,4S,5R,6S)-6-{[(2Z)-3,7-dimethylocta-2,6-dien-1-yl]oxy}-3,4,5-tris[(2,2,2-trifluoroacetyl)oxy]oxan-2-yl]methoxy}-3,4-bis[(2,2,2-trifluoroacetyl)oxy]oxolan-2-yl]methyl 2,2,2-trifluoroacetate
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Formula C33H30F18O16
InChI InChI=1S/C33H30F18O16/c1-11(2)5-4-6-12(3)7-8-58-20-19(67-27(57)33(49,50)51)17(65-25(55)31(43,44)45)15(63-23(53)29(37,38)39)13(61-20)9-59-21-18(66-26(56)32(46,47)48)16(64-24(54)30(40,41)42)14(62-21)10-60-22(52)28(34,35)36/h5,7,13-21H,4,6,8-10H2,1-3H3/b12-7-/t13-,14-,15-,16-,17+,18+,19-,20+,21+/m1/s1
InChIKey CYAPMPWDJKDVSX-QUUCSLGDSA-N
Molecular Weight 1024.558 g/mol
SMILES [C@@]1([C@]([C@@](OC\C=C/(CCC=C(C)C)C)(O[C@@]([C@]1(OC(C(F)(F)F)=O)[H])(CO[C@@]1([C@]([C@](OC(C(F)(F)F)=O)([C@](O1)(COC(C(F)(F)F)=O)[H])[H])(OC(C(F)(F)F)=O)[H])[H])[H])[H])(OC(C(F)(F)F)=O)[H])(OC(C(F)(F)F)=O)[H]
SPLASH splash10-014i-9100000000-fa372fc37416925750fc
Source of Spectrum JC-590-323-0
Wiley ID 1418451