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6-O-(.alpha.-L-rhamnopyranosyl)-.beta.-geranyl-D-glucopyranoside-hexakis(trifluoroacetyl)
SpectraBase Compound ID 9jnPCv7OWVJ
InChI InChI=1S/C34H32F18O16/c1-11(2)6-5-7-12(3)8-9-59-21-20(68-28(58)34(50,51)52)18(66-26(56)32(44,45)46)16(64-24(54)30(38,39)40)14(62-21)10-60-22-19(67-27(57)33(47,48)49)17(65-25(55)31(41,42)43)15(13(4)61-22)63-23(53)29(35,36)37/h6,8,13-22H,5,7,9-10H2,1-4H3/b12-8+/t13-,14+,15-,16-,17+,18+,19+,20+,21-,22?/m0/s1
InChIKey KRKOLWZUQOBRQW-DGXVATLQSA-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 DnVZs5b4oYp
Name 6-O-(.alpha.-L-rhamnopyranosyl)-.beta.-geranyl-D-glucopyranoside-hexakis(trifluoroacetyl)
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C34H32F18O16
InChI InChI=1S/C34H32F18O16/c1-11(2)6-5-7-12(3)8-9-59-21-20(68-28(58)34(50,51)52)18(66-26(56)32(44,45)46)16(64-24(54)30(38,39)40)14(62-21)10-60-22-19(67-27(57)33(47,48)49)17(65-25(55)31(41,42)43)15(13(4)61-22)63-23(53)29(35,36)37/h6,8,13-22H,5,7,9-10H2,1-4H3/b12-8+/t13-,14+,15-,16-,17+,18+,19+,20+,21-,22?/m0/s1
InChIKey KRKOLWZUQOBRQW-DGXVATLQSA-N
Molecular Weight 1038.585 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])(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 splash10-014i-9000000000-481a944701f9492d026a
Source of Spectrum JC-590-323-0
Synonyms 6-O-(.alpha.-L-rhamnopyranosyl)-.beta.-neryl-D-glucopyranoside-hexakis(trifluoroacetyl) (2S,3R,4R,5S,6R)-2-{[(2E)-3,7-dimethylocta-2,6-dien-1-yl]oxy}-6-({[(3R,4R,5S,6S)-6-methyl-3,4,5-tris[(2,2,2-trifluoroacetyl)oxy]oxan-2-yl]oxy}methyl)-3,5-bis[(2,2,2-trifluoroacetyl)oxy]oxan-4-yl 2,2,2-trifluoroacetate
Wiley ID 1418487