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6-O-(.alpha.-L-arabinofuranosyl)-.beta.-[(S)-linalyl]-D-glucopyranoside-hexakis(trifluoroacetyl)
SpectraBase Compound ID LmMQH9byBet
InChI InChI=1S/C33H30F18O16/c1-5-27(4,8-6-7-11(2)3)67-20-18(66-26(57)33(49,50)51)16(64-24(55)31(43,44)45)14(62-22(53)29(37,38)39)12(61-20)9-58-19-17(65-25(56)32(46,47)48)15(63-23(54)30(40,41)42)13(60-19)10-59-21(52)28(34,35)36/h5,7,12-20H,1,6,8-10H2,2-4H3/t12-,13-,14-,15-,16+,17+,18-,19+,20-,27-/m1/s1
InChIKey RAYBKPHNSJRZJU-PALLFUPSSA-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 KacYUemFSjn
Name 6-O-(.alpha.-L-arabinofuranosyl)-.beta.-[(S)-linalyl]-D-glucopyranoside-hexakis(trifluoroacetyl)
Alternate Name(s) [(2R,3R,4S,5S)-5-{[(2R,3R,4S,5R,6R)-6-{[(3S)-3,7-dimethylocta-1,6-dien-3-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/c1-5-27(4,8-6-7-11(2)3)67-20-18(66-26(57)33(49,50)51)16(64-24(55)31(43,44)45)14(62-22(53)29(37,38)39)12(61-20)9-58-19-17(65-25(56)32(46,47)48)15(63-23(54)30(40,41)42)13(60-19)10-59-21(52)28(34,35)36/h5,7,12-20H,1,6,8-10H2,2-4H3/t12-,13-,14-,15-,16+,17+,18-,19+,20-,27-/m1/s1
InChIKey RAYBKPHNSJRZJU-PALLFUPSSA-N
Molecular Weight 1024.558 g/mol
SMILES [C@@]1([C@]([C@](OC(C(F)(F)F)=O)([C@](O[C@@]1(O[C@](C=C)(CCC=C(C)C)C)[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 splash10-015c-9200000000-9732d8a17abddcdeef0b
Source of Spectrum JC-590-323-0
Wiley ID 1418449