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6-O-(.alpha.-L-rhamnopyranosyl)-.beta.-[(R)-linalyl]-D-glucopyranoside-hexakis(trifluoroacetyl)
SpectraBase Compound ID 7kL8oePX9iY
InChI InChI=1S/C34H32F18O16/c1-6-28(5,9-7-8-11(2)3)68-21-19(67-27(58)34(50,51)52)17(65-25(56)32(44,45)46)15(63-23(54)30(38,39)40)13(61-21)10-59-20-18(66-26(57)33(47,48)49)16(64-24(55)31(41,42)43)14(12(4)60-20)62-22(53)29(35,36)37/h6,8,12-21H,1,7,9-10H2,2-5H3/t12-,13+,14-,15-,16+,17+,18+,19+,20?,21+,28-/m0/s1
InChIKey GMMCRRIKSGFQIA-XXYCLAKSSA-N
Mol Weight 1038.6 g/mol
Molecular Formula C34H32F18O16
Exact Mass 1038.140292 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9oaNZ7IPpzG
Name 6-O-(.alpha.-L-rhamnopyranosyl)-.beta.-[(R)-linalyl]-D-glucopyranoside-hexakis(trifluoroacetyl)
Alternate Name(s) (2R,3R,4R,5S,6R)-2-{[(3R)-3,7-dimethylocta-1,6-dien-3-yl]oxy}-6-({[(3R,4R,5S,6S)-6-methyl-3,4,5-tris[(2,2,2-trifluoroacetyl)oxy]oxan-2-yl]oxy}methyl)-4,5-bis[(2,2,2-trifluoroacetyl)oxy]oxan-3-yl 2,2,2-trifluoroacetate
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Formula C34H32F18O16
InChI InChI=1S/C34H32F18O16/c1-6-28(5,9-7-8-11(2)3)68-21-19(67-27(58)34(50,51)52)17(65-25(56)32(44,45)46)15(63-23(54)30(38,39)40)13(61-21)10-59-20-18(66-26(57)33(47,48)49)16(64-24(55)31(41,42)43)14(12(4)60-20)62-22(53)29(35,36)37/h6,8,12-21H,1,7,9-10H2,2-5H3/t12-,13+,14-,15-,16+,17+,18+,19+,20?,21+,28-/m0/s1
InChIKey GMMCRRIKSGFQIA-XXYCLAKSSA-N
Molecular Weight 1038.585 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])(COC1[C@@]([C@](OC(C(F)(F)F)=O)([C@]([C@@](O1)(C)[H])(OC(C(F)(F)F)=O)[H])[H])(OC(C(F)(F)F)=O)[H])[H])[H])(OC(C(F)(F)F)=O)[H])(OC(C(F)(F)F)=O)[H]
SPLASH splash10-00m3-9300000000-104304155e9b65763b7f
Source of Spectrum JC-590-323-0
Wiley ID 1418485